1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane

C62H136N10 — CID 158178299

IUPAC1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane
SMILESC.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C11H24N2.C10H22N2.2C10H21N.C9H20N2.CH4/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;2*1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h2*10H,6-9H2,1-5H3;5-9H2,1-4H3;2*9H,5-8H2,1-4H3;5-8H2,1-4H3;1H4
InChIKeyFYGOGHXXDFLUCB-UHFFFAOYSA-N
MW1021.84 g/mol
LogP11.75
Rot. Bonds3

About 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane

1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane (PubChem CID 158178299) has the molecular formula C62H136N10 and a molecular weight of 1021.84 g/mol. Its IUPAC name is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane.

Molecular Properties

Compound Name1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane
PubChem CID158178299
Molecular FormulaC62H136N10
Molecular Weight1021.84 g/mol
Exact Mass1021.09
IUPAC Name1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane
SMILESC.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/2C11H24N2.C10H22N2.2C10H21N.C9H20N2.CH4/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;2*1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h2*10H,6-9H2,1-5H3;5-9H2,1-4H3;2*9H,5-8H2,1-4H3;5-8H2,1-4H3;1H4
InChIKeyFYGOGHXXDFLUCB-UHFFFAOYSA-N
XLogP11.75
TPSA32.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.84
LogP ≤ 511.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane with MolForge

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Launch Full Analysis

Related Compounds

1,4-Bis[2-[4-(1-piperidyl)-1-piperidyl]ethyl]piperazine
CID 455465
1-Azabicyclo[2.2.2]octane;2-methyl-1,4-diazabicyclo[2.2.2]octane
CID 19351690
1-[5-(4-Aza-1-azoniabicyclo[2.2.2]octan-1-yl)pentyl]-4-propan-2-yl-1,4-diazoniabicyclo[2.2.2]octane
CID 21364713
3-(1-Azoniabicyclo[2.2.2]octan-1-yl)-1-azabicyclo[2.2.2]octane
CID 54149094
1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
1-Methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-tert-butyl-4-[1-[4-[4-[(3R)-1-(2,2-dimethylpropyl)-3-methylpiperidin-4-yl]piperazin-1-yl]-2,2,4-trimethylpentyl]piperidin-4-yl]piperazine
CID 134582770
1-Methyl-4-[(1-methylpiperidin-3-yl)methyl]piperazine;1-methyl-4-piperidin-1-ylpiperidine
CID 142839665
1-Tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine
CID 146369195
(2R,6S)-1-tert-butyl-2-[2-[1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-[5-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]-6-methylpiperazine
CID 146549605
(2S,6R)-1-tert-butyl-2-[2-[(2R,6S)-1-tert-butyl-6-[2-[(2R,6R)-1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-(2,2-dimethylpropyl)piperidin-4-yl]piperazin-2-yl]ethyl]-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazine
CID 146549768
Ethane;1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(piperidin-1-ylmethyl)piperidine
CID 153544471

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane?
The IUPAC name of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane (CID 158178299) is 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane.
What is the SMILES notation for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane?
The canonical SMILES for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane is C.CC(C)N1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCN1CCN(C(C)(C)C)CC1.CN(C)C1CCN(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane?
The InChIKey is FYGOGHXXDFLUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24N2.C10H22N2.2C10H21N.C9H20N2.CH4/c1-11(2,3)13-8-6-10(7-9-13)12(4)5;1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-5-11-6-8-12(9-7-11)10(2,3)4;2*1-9-5-7-11(8-6-9)10(2,3)4;1-9(2,3)11-7-5-10(4)6-8-11;/h2*10H,6-9H2,1-5H3;5-9H2,1-4H3;2*9H,5-8H2,1-4H3;5-8H2,1-4H3;1H4.
What are the key properties of 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane?
1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane has a molecular weight of 1021.84 g/mol, XLogP of 11.75, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N,N-dimethylpiperidin-4-amine;1-tert-butyl-4-ethylpiperazine;1-tert-butyl-4-methylpiperazine;bis(1-tert-butyl-4-methylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;methane is sourced from PubChem (CID 158178299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).