2-butyl-1,3-dimethylpiperidine

C11H23N — CID 145095316

IUPAC2-butyl-1,3-dimethylpiperidine
SMILESCCCCC1C(C)CCCN1C
InChIInChI=1S/C11H23N/c1-4-5-8-11-10(2)7-6-9-12(11)3/h10-11H,4-9H2,1-3H3
InChIKeyPACNTDUWPOKLAE-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds3

About 2-butyl-1,3-dimethylpiperidine

2-butyl-1,3-dimethylpiperidine (PubChem CID 145095316) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2-butyl-1,3-dimethylpiperidine.

Molecular Properties

Compound Name2-butyl-1,3-dimethylpiperidine
PubChem CID145095316
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2-butyl-1,3-dimethylpiperidine
SMILESCCCCC1C(C)CCCN1C
InChIInChI=1S/C11H23N/c1-4-5-8-11-10(2)7-6-9-12(11)3/h10-11H,4-9H2,1-3H3
InChIKeyPACNTDUWPOKLAE-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R,3S)-1,3-dimethylpiperidin-2-yl]methanamine
CID 124835848
(3S)-3-butyl-1,2-dimethylpiperidine
CID 145095444
2-butyl-1-methylpyrrolidin-3-amine
CID 71433371
1-methyl-2-tetradecylpyrrolidine
CID 24796983
3-ethyl-2-(3-methoxypropyl)-1-methylpiperidine
CID 89265029
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
2-butyl-3-ethynyl-1,4-dimethylpiperazine
CID 123694542
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
1-butyl-2-methylcyclopentane;ethane
CID 143661628
N-methyl-1-(1-methyl-2-propylpiperidin-3-yl)methanamine
CID 163266759
cis-(1R,2S)-1,2-dimethylcyclohexane;heptane
CID 142453951

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,3-dimethylpiperidine?
The IUPAC name of 2-butyl-1,3-dimethylpiperidine (CID 145095316) is 2-butyl-1,3-dimethylpiperidine.
What is the SMILES notation for 2-butyl-1,3-dimethylpiperidine?
The canonical SMILES for 2-butyl-1,3-dimethylpiperidine is CCCCC1C(C)CCCN1C.
What is the InChIKey of 2-butyl-1,3-dimethylpiperidine?
The InChIKey is PACNTDUWPOKLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-5-8-11-10(2)7-6-9-12(11)3/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-butyl-1,3-dimethylpiperidine?
2-butyl-1,3-dimethylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,3-dimethylpiperidine is sourced from PubChem (CID 145095316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).