[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate

C16H29NO2 — CID 14709432

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCCCC1
InChIInChI=1S/C16H29NO2/c1-12(2)14-8-7-13(3)11-15(14)19-16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyZMBIWMANKXBTLA-QLFBSQMISA-N
MW267.41 g/mol
LogP4.07
Rot. Bonds2

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate (PubChem CID 14709432) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
PubChem CID14709432
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCCCC1
InChIInChI=1S/C16H29NO2/c1-12(2)14-8-7-13(3)11-15(14)19-16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3/t13-,14+,15-/m1/s1
InChIKeyZMBIWMANKXBTLA-QLFBSQMISA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 1-acetylpiperidine-4-carboxylate
CID 71978738
(5-methyl-2-propan-2-ylcyclohexyl) N,N-diethylcarbamate
CID 247656
(5-Methyl-2-propan-2-ylcyclohexyl) morpholine-4-carboxylate
CID 10015916
(5-Methyl-2-propan-2-ylcyclohexyl) pyrrolidine-1-carboxylate
CID 10377589
(5-Methyl-2-propan-2-ylcyclohexyl) piperidine-1-carboxylate
CID 10468204
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] pyrrolidine-1-carboxylate
CID 14709431
Tert-butyl 4-cyclohexyl-4-methoxy-1-piperidinecarboxylate
CID 22492894
Tert-butyl 4-cyclohexyl-4-(propan-2-yloxymethyl)piperidine-1-carboxylate
CID 23388701
Diethyl-carbamic acid 2,3,6-trimethyl-cyclohexyl ester
CID 49787365
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N,N-diethylcarbamate
CID 58534256
Diethyl-carbamic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
CID 58534333
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] morpholine-4-carboxylate
CID 58614610

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate (CID 14709432) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1CCCCC1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
The InChIKey is ZMBIWMANKXBTLA-QLFBSQMISA-N. The full InChI is InChI=1S/C16H29NO2/c1-12(2)14-8-7-13(3)11-15(14)19-16(18)17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3/t13-,14+,15-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate has a molecular weight of 267.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] piperidine-1-carboxylate is sourced from PubChem (CID 14709432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).