(3S)-3-butyl-1,2-dimethylpiperidine

C11H23N — CID 145095444

IUPAC(3S)-3-butyl-1,2-dimethylpiperidine
SMILESCCCC[C@H]1CCCN(C)C1C
InChIInChI=1S/C11H23N/c1-4-5-7-11-8-6-9-12(3)10(11)2/h10-11H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyQAYFORMLUPMBCY-DTIOYNMSSA-N
MW169.31 g/mol
LogP2.91
Rot. Bonds3

About (3S)-3-butyl-1,2-dimethylpiperidine

(3S)-3-butyl-1,2-dimethylpiperidine (PubChem CID 145095444) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (3S)-3-butyl-1,2-dimethylpiperidine.

Molecular Properties

Compound Name(3S)-3-butyl-1,2-dimethylpiperidine
PubChem CID145095444
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(3S)-3-butyl-1,2-dimethylpiperidine
SMILESCCCC[C@H]1CCCN(C)C1C
InChIInChI=1S/C11H23N/c1-4-5-7-11-8-6-9-12(3)10(11)2/h10-11H,4-9H2,1-3H3/t10?,11-/m0/s1
InChIKeyQAYFORMLUPMBCY-DTIOYNMSSA-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

(1,2-dimethylpiperidin-3-yl)methanamine
CID 83669908
2-butyl-1,3-dimethylpiperidine
CID 145095316
trans-(1R,2S)-1-butyl-2-methylcyclopentane
CID 6427719
(1S)-1-butyl-2-methylcyclohexane
CID 145054487
trans-(1R,2R)-1-butyl-2-propylcyclopentane
CID 14574886
1-butyl-2-methylcyclopentane;ethane
CID 143661628
1-methyl-2-tetradecylpyrrolidine
CID 24796983
1-butyl-2-ethylcyclopentane
CID 522474
1-butyl-2,3-dimethylcycloheptane
CID 123688488
3-butyl-1,4-dimethylpiperidine
CID 145095542
(8R,8aR)-8-hexyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 101105424
1,2-diheptylcyclopentane
CID 102061720

Frequently Asked Questions

What is the IUPAC name of (3S)-3-butyl-1,2-dimethylpiperidine?
The IUPAC name of (3S)-3-butyl-1,2-dimethylpiperidine (CID 145095444) is (3S)-3-butyl-1,2-dimethylpiperidine.
What is the SMILES notation for (3S)-3-butyl-1,2-dimethylpiperidine?
The canonical SMILES for (3S)-3-butyl-1,2-dimethylpiperidine is CCCC[C@H]1CCCN(C)C1C.
What is the InChIKey of (3S)-3-butyl-1,2-dimethylpiperidine?
The InChIKey is QAYFORMLUPMBCY-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H23N/c1-4-5-7-11-8-6-9-12(3)10(11)2/h10-11H,4-9H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (3S)-3-butyl-1,2-dimethylpiperidine?
(3S)-3-butyl-1,2-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 (3S)-3-butyl-1,2-dimethylpiperidine is sourced from PubChem (CID 145095444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).