tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate

C15H27NO2 — CID 178194440

IUPACtert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCNC[C@H]1C1CCCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)18-14(17)12-8-9-16-10-13(12)11-6-4-5-7-11/h11-13,16H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyLAECWWBWTNSPJX-STQMWFEESA-N
MW253.39 g/mol
LogP2.74
Rot. Bonds2

About tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate

tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate (PubChem CID 178194440) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate
PubChem CID178194440
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nametert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCNC[C@H]1C1CCCC1
InChIInChI=1S/C15H27NO2/c1-15(2,3)18-14(17)12-8-9-16-10-13(12)11-6-4-5-7-11/h11-13,16H,4-10H2,1-3H3/t12-,13-/m0/s1
InChIKeyLAECWWBWTNSPJX-STQMWFEESA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-methylpiperidine-4-carboxylate
CID 3356505
tert-butyl (3R,4R)-3-hydroxypiperidine-4-carboxylate
CID 96860128
tert-butyl (3R,4R)-3-methylpiperidine-4-carboxylate;molecular hydrogen
CID 142290710
tert-butyl (1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalene-1-carboxylate
CID 58855747
tert-butyl 4-hydroxypiperidine-3-carboxylate
CID 105453621
3-cyclohexylpiperidine-4-carboxamide
CID 174458601
3-cyclobutylpiperidine-4-carboxylic acid
CID 84769140
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
CID 84812476
tert-butyl (5R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 91040516
tert-butyl N-(4-cyclopentylpyrrolidin-3-yl)carbamate
CID 18939323
methyl 4-cyclohexylpyrrolidine-3-carboxylate
CID 114486447

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate (CID 178194440) is tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate is CC(C)(C)OC(=O)[C@H]1CCNC[C@H]1C1CCCC1.
What is the InChIKey of tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate?
The InChIKey is LAECWWBWTNSPJX-STQMWFEESA-N. The full InChI is InChI=1S/C15H27NO2/c1-15(2,3)18-14(17)12-8-9-16-10-13(12)11-6-4-5-7-11/h11-13,16H,4-10H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate?
tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate has a molecular weight of 253.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-cyclopentylpiperidine-4-carboxylate is sourced from PubChem (CID 178194440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).