1-butyl-4-(3-methylbutyl)piperidine

C14H29N — CID 167107380

IUPAC1-butyl-4-(3-methylbutyl)piperidine
SMILESCCCCN1CCC(CCC(C)C)CC1
InChIInChI=1S/C14H29N/c1-4-5-10-15-11-8-14(9-12-15)7-6-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyNOKLBVHVTJXNQS-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds6

About 1-butyl-4-(3-methylbutyl)piperidine

1-butyl-4-(3-methylbutyl)piperidine (PubChem CID 167107380) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-butyl-4-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name1-butyl-4-(3-methylbutyl)piperidine
PubChem CID167107380
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-butyl-4-(3-methylbutyl)piperidine
SMILESCCCCN1CCC(CCC(C)C)CC1
InChIInChI=1S/C14H29N/c1-4-5-10-15-11-8-14(9-12-15)7-6-13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyNOKLBVHVTJXNQS-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[4-(3-methylbutyl)piperidin-1-yl]hexanal
CID 164535749
4-butyl-1-octylpiperidine
CID 171570418
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
CID 176985881
2-methyl-5-(4-propylpiperidin-1-yl)pentan-1-amine
CID 82016996
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
N-ethyl-5-(4-propylpiperidin-1-yl)pentan-2-amine
CID 55050463
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080
4-butyl-1-heptylpiperidine;formonitrile
CID 175849547

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-methylbutyl)piperidine?
The IUPAC name of 1-butyl-4-(3-methylbutyl)piperidine (CID 167107380) is 1-butyl-4-(3-methylbutyl)piperidine.
What is the SMILES notation for 1-butyl-4-(3-methylbutyl)piperidine?
The canonical SMILES for 1-butyl-4-(3-methylbutyl)piperidine is CCCCN1CCC(CCC(C)C)CC1.
What is the InChIKey of 1-butyl-4-(3-methylbutyl)piperidine?
The InChIKey is NOKLBVHVTJXNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-5-10-15-11-8-14(9-12-15)7-6-13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-butyl-4-(3-methylbutyl)piperidine?
1-butyl-4-(3-methylbutyl)piperidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-methylbutyl)piperidine is sourced from PubChem (CID 167107380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).