3-methyl-4-propan-2-ylpiperidine

C9H19N — CID 58394699

IUPAC3-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1C
InChIInChI=1S/C9H19N/c1-7(2)9-4-5-10-6-8(9)3/h7-10H,4-6H2,1-3H3
InChIKeyBYPIGWPYYSYODQ-UHFFFAOYSA-N
MW141.26 g/mol
LogP1.89
Rot. Bonds1

About 3-methyl-4-propan-2-ylpiperidine

3-methyl-4-propan-2-ylpiperidine (PubChem CID 58394699) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 3-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-methyl-4-propan-2-ylpiperidine
PubChem CID58394699
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name3-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1C
InChIInChI=1S/C9H19N/c1-7(2)9-4-5-10-6-8(9)3/h7-10H,4-6H2,1-3H3
InChIKeyBYPIGWPYYSYODQ-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-4-(2-methylpentan-3-yl)piperidine
CID 143219576
(3R,4S)-4-iodo-3-propan-2-ylpiperidine
CID 139491710
(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
CID 168979168
4-benzhydryl-3-methylpiperidine
CID 56617151
N,N-dimethyl-4-propan-2-ylpiperidin-3-amine
CID 130002958
(3R,4R)-3-propan-2-ylpiperidine-4-carboxylic acid
CID 96740148
3-propan-2-ylpiperidine-4-carboxylic acid
CID 82598426
(3S,4R)-3-methylpiperidin-4-ol;hydrochloride
CID 69092530
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
5-propan-2-ylazepan-4-amine
CID 84763761
1,4-dimethylcyclohexane;3-methyl-4-(2-methylpentan-3-yl)piperidine;1,1,1-trifluoropropane
CID 143219575
(3R,4R)-3-propan-2-yl-4-propan-2-yloxypiperidine
CID 162785126

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-ylpiperidine?
The IUPAC name of 3-methyl-4-propan-2-ylpiperidine (CID 58394699) is 3-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 3-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for 3-methyl-4-propan-2-ylpiperidine is CC(C)C1CCNCC1C.
What is the InChIKey of 3-methyl-4-propan-2-ylpiperidine?
The InChIKey is BYPIGWPYYSYODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-7(2)9-4-5-10-6-8(9)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-ylpiperidine?
3-methyl-4-propan-2-ylpiperidine has a molecular weight of 141.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 58394699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).