3-butyl-1,4-dimethylpiperidine

C11H23N — CID 145095542

IUPAC3-butyl-1,4-dimethylpiperidine
SMILESCCCCC1CN(C)CCC1C
InChIInChI=1S/C11H23N/c1-4-5-6-11-9-12(3)8-7-10(11)2/h10-11H,4-9H2,1-3H3
InChIKeyFRWQVZUXDSAHTA-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds3

About 3-butyl-1,4-dimethylpiperidine

3-butyl-1,4-dimethylpiperidine (PubChem CID 145095542) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-butyl-1,4-dimethylpiperidine.

Molecular Properties

Compound Name3-butyl-1,4-dimethylpiperidine
PubChem CID145095542
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-butyl-1,4-dimethylpiperidine
SMILESCCCCC1CN(C)CCC1C
InChIInChI=1S/C11H23N/c1-4-5-6-11-9-12(3)8-7-10(11)2/h10-11H,4-9H2,1-3H3
InChIKeyFRWQVZUXDSAHTA-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-4-pentylpyrrolidine
CID 145095379
(4S)-1,4-dimethyl-5-propylazepane
CID 145369444
3-(methoxymethyl)-1,4-dimethylpiperidine
CID 170079512
1-[(1,4-dimethylpiperidin-3-yl)methyl]-4-methylpiperazine
CID 126739578
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
4-butyl-1-methylpyrrolidin-3-ol
CID 140584543
1-butyl-2-methylcyclopentane;ethane
CID 143661628
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
1,3,4-trimethylpiperidine
CID 14454423
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,4-dimethylpiperidine?
The IUPAC name of 3-butyl-1,4-dimethylpiperidine (CID 145095542) is 3-butyl-1,4-dimethylpiperidine.
What is the SMILES notation for 3-butyl-1,4-dimethylpiperidine?
The canonical SMILES for 3-butyl-1,4-dimethylpiperidine is CCCCC1CN(C)CCC1C.
What is the InChIKey of 3-butyl-1,4-dimethylpiperidine?
The InChIKey is FRWQVZUXDSAHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-5-6-11-9-12(3)8-7-10(11)2/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-butyl-1,4-dimethylpiperidine?
3-butyl-1,4-dimethylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,4-dimethylpiperidine is sourced from PubChem (CID 145095542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).