3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine

C66H137N5 — CID 157104981

IUPAC3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)CCC1CCCN(C(C)C)C1.CC(C)CCCC1CCCN(C(C)C)C1.CC(C)CCCC1CCN(C(C)C)C1.CC(C)CCCC1CCN(C(C)C)CC1.CC(C)CCCC1CN(C(C)C)C1
InChIInChI=1S/2C14H29N.2C13H27N.C12H25N/c1-12(2)7-5-8-14-9-6-10-15(11-14)13(3)4;1-12(2)6-5-7-14-8-10-15(11-9-14)13(3)4;1-11(2)7-8-13-6-5-9-14(10-13)12(3)4;1-11(2)6-5-7-13-8-9-14(10-13)12(3)4;1-10(2)6-5-7-12-8-13(9-12)11(3)4/h2*12-14H,5-11H2,1-4H3;2*11-13H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3
InChIKeyAGESUQGKGCDOFD-UHFFFAOYSA-N
MW1000.86 g/mol
LogP18.11
Rot. Bonds24

About 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine

3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine (PubChem CID 157104981) has the molecular formula C66H137N5 and a molecular weight of 1000.86 g/mol. Its IUPAC name is 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine
PubChem CID157104981
Molecular FormulaC66H137N5
Molecular Weight1000.86 g/mol
Exact Mass1000.09
IUPAC Name3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)CCC1CCCN(C(C)C)C1.CC(C)CCCC1CCCN(C(C)C)C1.CC(C)CCCC1CCN(C(C)C)C1.CC(C)CCCC1CCN(C(C)C)CC1.CC(C)CCCC1CN(C(C)C)C1
InChIInChI=1S/2C14H29N.2C13H27N.C12H25N/c1-12(2)7-5-8-14-9-6-10-15(11-14)13(3)4;1-12(2)6-5-7-14-8-10-15(11-9-14)13(3)4;1-11(2)7-8-13-6-5-9-14(10-13)12(3)4;1-11(2)6-5-7-13-8-9-14(10-13)12(3)4;1-10(2)6-5-7-12-8-13(9-12)11(3)4/h2*12-14H,5-11H2,1-4H3;2*11-13H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3
InChIKeyAGESUQGKGCDOFD-UHFFFAOYSA-N
XLogP18.11
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds24
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001000.86
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine with MolForge

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Related Compounds

3,3-Difluoro-1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)azetidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;4-fluoro-1,4-di(propan-2-yl)piperidine
CID 165018625
1-[3-[4-(3-Fluoroazetidin-1-yl)-1-methylpiperidin-2-yl]-1-methylpiperidin-4-yl]-4-methylpiperazine
CID 170013287
10-(2,8-Dimethyl-2,8-diazaspiro[4.5]decan-4-yl)-9-methyl-2-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 91538992
4-[1,3-Bis[1-hexyl-2,6-di(propan-2-yl)piperidin-4-yl]propyl]-1-hexyl-2,6-di(propan-2-yl)piperidine
CID 121244691
3-[2-(3-Azabicyclo[3.1.1]heptan-3-yl)-2-methylpropyl]-8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 131989865
8-Propan-2-yl-3-[5-(3-propan-2-yl-6-azabicyclo[3.1.1]heptan-6-yl)hexan-2-yl]-8-azabicyclo[3.2.1]octane
CID 132248356
3-(3-Azabicyclo[3.1.1]heptan-3-ylmethyl)-8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 138545681
4-[2-(1,3-Dimethylpyrrolidin-3-yl)-2,3,5,6-tetramethyl-6-[1-(2-methylpropyl)piperidin-4-yl]-5-(1-propan-2-ylpiperidin-4-yl)heptan-3-yl]-1,4-dimethylpiperidine
CID 138751927
1-Methyl-3-(1-methyl-4-piperidin-1-ylpiperidin-3-yl)-4-pyrrolidin-1-ylpiperidine
CID 142123454
1-tert-butyl-4-[[4-[5-[(3S)-3-[(4-tert-butylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-1-yl]methyl]piperidine
CID 156551545
Methane;1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpyrrolidine
CID 157230415
3,6-Dimethyl-6-azabicyclo[3.1.1]heptane;3,8-dimethyl-8-azabicyclo[3.2.1]octane;1,4-dimethylpiperidine;1,3-dimethylpyrrolidine;methane
CID 157251019

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine (CID 157104981) is 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine is CC(C)CCC1CCCN(C(C)C)C1.CC(C)CCCC1CCCN(C(C)C)C1.CC(C)CCCC1CCN(C(C)C)C1.CC(C)CCCC1CCN(C(C)C)CC1.CC(C)CCCC1CN(C(C)C)C1.
What is the InChIKey of 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine?
The InChIKey is AGESUQGKGCDOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H29N.2C13H27N.C12H25N/c1-12(2)7-5-8-14-9-6-10-15(11-14)13(3)4;1-12(2)6-5-7-14-8-10-15(11-9-14)13(3)4;1-11(2)7-8-13-6-5-9-14(10-13)12(3)4;1-11(2)6-5-7-13-8-9-14(10-13)12(3)4;1-10(2)6-5-7-12-8-13(9-12)11(3)4/h2*12-14H,5-11H2,1-4H3;2*11-13H,5-10H2,1-4H3;10-12H,5-9H2,1-4H3.
What are the key properties of 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine?
3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine has a molecular weight of 1000.86 g/mol, XLogP of 18.11, 24 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylazetidine;3-(4-methylpentyl)-1-propan-2-ylpiperidine;4-(4-methylpentyl)-1-propan-2-ylpiperidine;3-(4-methylpentyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 157104981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).