1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine

C112H238N14O2 — CID 158701642

IUPAC1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCC(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2.C15H31NO.C15H31N.C14H31N3.C14H30N2O.C14H30N2.C13H27N.C12H26N2/c1-14(2,3)13-7-10-17(11-8-13)12-9-16-15(4,5)6;1-14(2,3)13-7-9-16(10-8-13)11-12-17-15(4,5)6;1-14(2,3)9-12-16-10-7-13(8-11-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h13,16H,7-12H2,1-6H3;13H,7-12H2,1-6H3;13H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3
InChIKeyIHPQDQMKEQEIJC-UHFFFAOYSA-N
MW1813.23 g/mol
LogP23.46
Rot. Bonds16

About 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine

1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine (PubChem CID 158701642) has the molecular formula C112H238N14O2 and a molecular weight of 1813.23 g/mol. Its IUPAC name is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
PubChem CID158701642
Molecular FormulaC112H238N14O2
Molecular Weight1813.23 g/mol
Exact Mass1811.90
IUPAC Name1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine
SMILESCC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCC(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H32N2.C15H31NO.C15H31N.C14H31N3.C14H30N2O.C14H30N2.C13H27N.C12H26N2/c1-14(2,3)13-7-10-17(11-8-13)12-9-16-15(4,5)6;1-14(2,3)13-7-9-16(10-8-13)11-12-17-15(4,5)6;1-14(2,3)9-12-16-10-7-13(8-11-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h13,16H,7-12H2,1-6H3;13H,7-12H2,1-6H3;13H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3
InChIKeyIHPQDQMKEQEIJC-UHFFFAOYSA-N
XLogP23.46
TPSA81.40 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001813.23
LogP ≤ 523.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

4-[2,3-Dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 139363204
4-[1-[3-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]-8-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-(4-piperazin-1-ylpiperidin-1-yl)-6-(4-piperidin-4-ylpiperidin-1-yl)nonan-4-yl]piperidin-4-yl]morpholine
CID 146177091
N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium
CID 155702607
2,2-dimethyl-N-[2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]ethyl]propan-1-amine;1-[2-(2,2-dimethylpropoxy)ethyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;2-methyl-N-[2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethyl]propan-2-amine
CID 157079109
N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;2,3-dimethylpentane;1-ethyl-4-(3-methylbutyl)piperazine;3-methylbutan-1-amine;2-(3-methylbutyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane;2,3,3-trimethylpentane
CID 157200465
2,3-dimethylbutan-1-amine;N,3-dimethylbutan-1-amine;N,3-dimethylbutan-2-amine;2,3-dimethylbutane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-methyl-4-(3-methylbutyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine;bis(1-(2-methylpropyl)piperidine);1-(2-methylpropyl)-4-propan-2-ylpiperazine;N,N,2,2,3-pentamethylbutan-1-amine;N,N,2,3-tetramethylbutan-1-amine;N,N,2,3-tetramethylbutan-2-amine;2,2,3-trimethylbutan-1-amine;N,2,3-trimethylbutan-2-amine;N,N,3-trimethylbutan-1-amine;N,N,3-trimethylbutan-2-amine;2,2,3-trimethylbutane
CID 157205695
1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
CID 157291544
1,3-dimethylpiperazine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;1-ethyl-4-methylpiperazine;4-methylmorpholine;1-methylpiperidine;(3R)-3-methylpiperidine
CID 157379499
CID 157408965
CID 157408965
N-tert-butylcyclohexanamine;bis(N-tert-butyl-1-methylpiperidin-4-amine);N-(cyclohexylmethyl)-2-methylpropan-2-amine;bis(1-(3,3-dimethylbutyl)-4-methylpiperazine);bis(2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine);1-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;N-(2-piperidin-1-ylethyl)propan-2-amine
CID 157725692
N,N-diethyl-4,4-dimethylpentan-1-amine;N,N-diethyl-2,3,3-trimethylbutan-1-amine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperazine;bis(1-(4,4-dimethylpentyl)piperidine);N,N,2,3,3-pentamethylbutan-1-amine;N,N,3,3-tetramethylbutan-1-amine;N,N,4,4-tetramethylpentan-2-amine;4-(2,3,3-trimethylbutyl)morpholine;1-(2,3,3-trimethylbutyl)piperidine
CID 157784848
Tert-butyl 4-(4,4-dimethylpentan-2-yl)piperazine-1-carboxylate;4-(3,3-dimethylbutyl)-2,6-dimethylmorpholine;4-(3,3-dimethylbutyl)-3,3-dimethylmorpholine;4-(3,3-dimethylbutyl)-3-methylmorpholine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperazine;1-(3,3-dimethylbutyl)piperidine;4-(4,4-dimethylpentan-2-yl)morpholine;1-(4,4-dimethylpentan-2-yl)piperidine;4-(4,4-dimethylpentyl)morpholine;1-(4,4-dimethylpentyl)piperazine;1-(4,4-dimethylpentyl)piperidine;methane;bis(4-(2,3,3-trimethylbutyl)morpholine)
CID 157956362

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
The IUPAC name of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine (CID 158701642) is 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
The canonical SMILES for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine is CC(C)(C)C1CCN(C(C)(C)C)CC1.CC(C)(C)CCN1CCC(C(C)(C)C)CC1.CC(C)(C)CCN1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCN(C(C)(C)C)CC1.CC(C)(C)NCCN1CCC(C(C)(C)C)CC1.CC(C)(C)NCCN1CCN(C(C)(C)C)CC1.CC(C)(C)OCCN1CCC(C(C)(C)C)CC1.CC(C)(C)OCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
The InChIKey is IHPQDQMKEQEIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2.C15H31NO.C15H31N.C14H31N3.C14H30N2O.C14H30N2.C13H27N.C12H26N2/c1-14(2,3)13-7-10-17(11-8-13)12-9-16-15(4,5)6;1-14(2,3)13-7-9-16(10-8-13)11-12-17-15(4,5)6;1-14(2,3)9-12-16-10-7-13(8-11-16)15(4,5)6;1-13(2,3)15-7-8-16-9-11-17(12-10-16)14(4,5)6;1-13(2,3)16-9-7-15(8-10-16)11-12-17-14(4,5)6;1-13(2,3)7-8-15-9-11-16(12-10-15)14(4,5)6;1-12(2,3)11-7-9-14(10-8-11)13(4,5)6;1-11(2,3)13-7-9-14(10-8-13)12(4,5)6/h13,16H,7-12H2,1-6H3;13H,7-12H2,1-6H3;13H,7-12H2,1-6H3;15H,7-12H2,1-6H3;7-12H2,1-6H3;7-12H2,1-6H3;11H,7-10H2,1-6H3;7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine?
1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine has a molecular weight of 1813.23 g/mol, XLogP of 23.46, 16 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3,3-dimethylbutyl)piperazine;4-tert-butyl-1-(3,3-dimethylbutyl)piperidine;1-tert-butyl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;4-tert-butyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-2-amine;N-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2-methylpropan-2-amine;1,4-ditert-butylpiperazine;1,4-ditert-butylpiperidine is sourced from PubChem (CID 158701642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).