1-(3-methylbutyl)piperidine

C10H21N — CID 523252

IUPAC1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCCCC1
InChIInChI=1S/C10H21N/c1-10(2)6-9-11-7-4-3-5-8-11/h10H,3-9H2,1-2H3
InChIKeyPWMYYGYCTJRBBX-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.52
Rot. Bonds3

About 1-(3-methylbutyl)piperidine

1-(3-methylbutyl)piperidine (PubChem CID 523252) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name1-(3-methylbutyl)piperidine
PubChem CID523252
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCCCC1
InChIInChI=1S/C10H21N/c1-10(2)6-9-11-7-4-3-5-8-11/h10H,3-9H2,1-2H3
InChIKeyPWMYYGYCTJRBBX-UHFFFAOYSA-N
XLogP2.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)piperidine?
The IUPAC name of 1-(3-methylbutyl)piperidine (CID 523252) is 1-(3-methylbutyl)piperidine.
What is the SMILES notation for 1-(3-methylbutyl)piperidine?
The canonical SMILES for 1-(3-methylbutyl)piperidine is CC(C)CCN1CCCCC1.
What is the InChIKey of 1-(3-methylbutyl)piperidine?
The InChIKey is PWMYYGYCTJRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-10(2)6-9-11-7-4-3-5-8-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(3-methylbutyl)piperidine?
1-(3-methylbutyl)piperidine has a molecular weight of 155.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)piperidine is sourced from PubChem (CID 523252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).