(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine

C14H27N — CID 134195528

IUPAC(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CN(C2CCCC2)CC[C@@H]1C
InChIInChI=1S/C14H27N/c1-11(2)14-10-15(9-8-12(14)3)13-6-4-5-7-13/h11-14H,4-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyCJZGCLPUPKYVPF-JSGCOSHPSA-N
MW209.38 g/mol
LogP3.54
Rot. Bonds2

About (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine

(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine (PubChem CID 134195528) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine
PubChem CID134195528
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CN(C2CCCC2)CC[C@@H]1C
InChIInChI=1S/C14H27N/c1-11(2)14-10-15(9-8-12(14)3)13-6-4-5-7-13/h11-14H,4-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyCJZGCLPUPKYVPF-JSGCOSHPSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
CID 134195627
2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 58450035
1-cyclobutyl-3-fluoro-4-methylpiperidine
CID 130674980
(3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol
CID 134203220
1,4-dimethyl-3-propan-2-ylpiperidine
CID 139491712
1-cyclohexyl-3-methylpyrrolidine
CID 13402657
4-bromo-1-cyclopentyl-3-methylpiperidine
CID 114682512
(4R)-1-ethyl-4-methyl-3-propan-2-ylpiperidine
CID 166105032
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
(3S)-1-cyclopentylpyrrolidin-3-ol
CID 58155463
4-propan-2-yl-1,2,3,4,5,7,8,9,10,10a-decahydropyrido[1,2-d][1,4]diazepine
CID 83879978
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine?
The IUPAC name of (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine (CID 134195528) is (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine.
What is the SMILES notation for (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine?
The canonical SMILES for (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine is CC(C)[C@@H]1CN(C2CCCC2)CC[C@@H]1C.
What is the InChIKey of (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine?
The InChIKey is CJZGCLPUPKYVPF-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H27N/c1-11(2)14-10-15(9-8-12(14)3)13-6-4-5-7-13/h11-14H,4-10H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine?
(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine has a molecular weight of 209.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine is sourced from PubChem (CID 134195528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).