tert-butyl 2-cyclohexylpiperidine-1-carboxylate

C16H29NO2 — CID 164666573

IUPACtert-butyl 2-cyclohexylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h13-14H,4-12H2,1-3H3
InChIKeyZDANLGNWARDFRH-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.36
Rot. Bonds1

About tert-butyl 2-cyclohexylpiperidine-1-carboxylate

tert-butyl 2-cyclohexylpiperidine-1-carboxylate (PubChem CID 164666573) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is tert-butyl 2-cyclohexylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyclohexylpiperidine-1-carboxylate
PubChem CID164666573
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nametert-butyl 2-cyclohexylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h13-14H,4-12H2,1-3H3
InChIKeyZDANLGNWARDFRH-UHFFFAOYSA-N
XLogP4.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 2-cyclohexylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
tert-butyl 2-piperidin-4-ylazepane-1-carboxylate
CID 64612498
tert-butyl 7-oxo-3,4,5,5a,6,8,9,9a-octahydro-2H-benzo[b]azepine-1-carboxylate
CID 83488863
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-(oxiran-2-yl)piperidine-1-carboxylate
CID 102537761
tert-butyl 2-(4-aminocyclohexyl)pyrrolidine-1-carboxylate
CID 91798850
tert-butyl (5aS,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydropyrido[4,3-b]azepine-1-carboxylate
CID 95387190
tert-butyl 2-cyclohexyl-4-formylpiperidine-1-carboxylate
CID 141078982
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
tert-butyl 2-(3-oxocyclopentyl)pyrrolidine-1-carboxylate
CID 139022722
tert-butyl 2-(2,6-dioxocyclohexyl)piperidine-1-carboxylate
CID 103845860
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyclohexylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-cyclohexylpiperidine-1-carboxylate (CID 164666573) is tert-butyl 2-cyclohexylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-cyclohexylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-cyclohexylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1C1CCCCC1.
What is the InChIKey of tert-butyl 2-cyclohexylpiperidine-1-carboxylate?
The InChIKey is ZDANLGNWARDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-16(2,3)19-15(18)17-12-8-7-11-14(17)13-9-5-4-6-10-13/h13-14H,4-12H2,1-3H3.
What are the key properties of tert-butyl 2-cyclohexylpiperidine-1-carboxylate?
tert-butyl 2-cyclohexylpiperidine-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyclohexylpiperidine-1-carboxylate is sourced from PubChem (CID 164666573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).