1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine

C74H161N13 — CID 159879007

IUPAC1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine
SMILESCC(C)(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CC(C)CN(C(C)C)C1.CCCN1CCN(C(C)C)CC1.CCN1CCCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/2C10H22N2.C10H21N.2C9H20N2.2C9H19N.C8H18N2/c1-4-11-6-5-7-12(9-8-11)10(2)3;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)11-6-9(3)5-10(4)7-11;1-9(2)11-6-4-5-10(3)7-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-9(2,3)10-7-5-4-6-8-10;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10/h2*10H,4-9H2,1-3H3;8-10H,5-7H2,1-4H3;2*9H,4-8H2,1-3H3;4-8H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3
InChIKeyNTHCPUXJWDIICU-UHFFFAOYSA-N
MW1233.19 g/mol
LogP12.47
Rot. Bonds11

About 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine

1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine (PubChem CID 159879007) has the molecular formula C74H161N13 and a molecular weight of 1233.19 g/mol. Its IUPAC name is 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine.

Molecular Properties

Compound Name1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine
PubChem CID159879007
Molecular FormulaC74H161N13
Molecular Weight1233.19 g/mol
Exact Mass1232.30
IUPAC Name1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine
SMILESCC(C)(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CC(C)CN(C(C)C)C1.CCCN1CCN(C(C)C)CC1.CCN1CCCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/2C10H22N2.C10H21N.2C9H20N2.2C9H19N.C8H18N2/c1-4-11-6-5-7-12(9-8-11)10(2)3;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)11-6-9(3)5-10(4)7-11;1-9(2)11-6-4-5-10(3)7-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-9(2,3)10-7-5-4-6-8-10;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10/h2*10H,4-9H2,1-3H3;8-10H,5-7H2,1-4H3;2*9H,4-8H2,1-3H3;4-8H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3
InChIKeyNTHCPUXJWDIICU-UHFFFAOYSA-N
XLogP12.47
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001233.19
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine with MolForge

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Launch Full Analysis

Related Compounds

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
(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
1-Azabicyclo[3.2.2]nonane;1-azabicyclo[2.2.2]octane;1,4-diazabicyclo[2.2.2]octane;9-methyl-9-azabicyclo[3.3.1]nonane
CID 157076819
Carbanide;7,12-dimethyl-6-azoniaspiro[5.6]dodecane;8,11-dimethyl-6-azoniaspiro[5.6]dodecane;8,12-dimethyl-6-azoniaspiro[5.6]dodecane;9,11-dimethyl-6-azoniaspiro[5.6]dodecane;9,12-dimethyl-6-azoniaspiro[5.6]dodecane;10,11-dimethyl-6-azoniaspiro[5.6]dodecane
CID 157625763
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
Bis(1-methyl-4-propan-2-ylcyclohexane);bis(1-methyl-4-propan-2-yl-1,4-diazepane);bis(1-methyl-4-propan-2-ylpiperazine);bis(4-methyl-1-propan-2-ylpiperidine);1-propan-2-ylpiperidine
CID 158261989
Carbanide;7,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;7,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,11-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,10,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,9,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane;8,10,11,12-tetramethyl-6-azoniaspiro[5.6]dodecane
CID 158563052
Carbanide;2,5-dimethyl-6-azoniaspiro[5.6]dodecane;3,5-dimethyl-6-azoniaspiro[5.6]dodecane;4,5-dimethyl-6-azoniaspiro[5.6]dodecane;3-methyl-6-azoniaspiro[5.6]dodecane;4-methyl-6-azoniaspiro[5.6]dodecane;5-methyl-6-azoniaspiro[5.6]dodecane;1,2,3,4,5-pentamethyl-6-azoniaspiro[5.5]undecane
CID 158632587
Carbanide;1,2,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;2,3,4,5-tetramethyl-6-azoniaspiro[5.6]dodecane;1,3,5-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,4-trimethyl-6-azoniaspiro[5.6]dodecane;2,3,5-trimethyl-6-azoniaspiro[5.6]dodecane
CID 159092012
Bis(1,2-di(propan-2-yl)azepane);pentakis(1,2-di(propan-2-yl)piperidine);1,2-di(propan-2-yl)pyrrolidine
CID 159205798
(2S,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5S)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2S,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;(2R,5R)-2,5-dimethyl-1-(4-methylpentyl)-4-propan-2-ylpiperazine;1-(4-methylpentyl)-4-propan-2-ylpiperazine
CID 159343779
1,2,3,4,5-Pentamethylpiperazine;1,2,3,4-tetramethyl-5-(2-methylpropyl)piperazine;1,2,3,4-tetramethylpiperazine;1,2,4,5-tetramethylpiperazine;1,2,3,4-tetramethyl-5-propan-2-ylpiperazine;1,2,4-trimethyl-5-(2-methylpropyl)piperazine;1,2,4-trimethylpiperazine;1,2,4-trimethyl-5-propan-2-ylpiperazine
CID 159567556

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine?
The IUPAC name of 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine (CID 159879007) is 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine.
What is the SMILES notation for 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine?
The canonical SMILES for 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine is CC(C)(C)N1CCCCC1.CC(C)N1CCCCCC1.CC(C)N1CCCN(C)CC1.CC(C)N1CCN(C)CC1.CC1CC(C)CN(C(C)C)C1.CCCN1CCN(C(C)C)CC1.CCN1CCCN(C(C)C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine?
The InChIKey is NTHCPUXJWDIICU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H22N2.C10H21N.2C9H20N2.2C9H19N.C8H18N2/c1-4-11-6-5-7-12(9-8-11)10(2)3;1-4-5-11-6-8-12(9-7-11)10(2)3;1-8(2)11-6-9(3)5-10(4)7-11;1-9(2)11-6-4-5-10(3)7-8-11;1-4-10-5-7-11(8-6-10)9(2)3;1-9(2,3)10-7-5-4-6-8-10;1-9(2)10-7-5-3-4-6-8-10;1-8(2)10-6-4-9(3)5-7-10/h2*10H,4-9H2,1-3H3;8-10H,5-7H2,1-4H3;2*9H,4-8H2,1-3H3;4-8H2,1-3H3;9H,3-8H2,1-2H3;8H,4-7H2,1-3H3.
What are the key properties of 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine?
1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine has a molecular weight of 1233.19 g/mol, XLogP of 12.47, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpiperidine;3,5-dimethyl-1-propan-2-ylpiperidine;1-ethyl-4-propan-2-yl-1,4-diazepane;1-ethyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-yl-1,4-diazepane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane;1-propan-2-yl-4-propylpiperazine is sourced from PubChem (CID 159879007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).