(4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate

C19H27NO3 — CID 163392258

IUPAC(4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate
SMILESO=C(OCOC1CCC(c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H27NO3/c21-19(20-13-5-2-6-14-20)23-15-22-18-11-9-17(10-12-18)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2
InChIKeyLCUJRCTYHWKWQU-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.31
Rot. Bonds4

About (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate

(4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate (PubChem CID 163392258) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate
PubChem CID163392258
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate
SMILESO=C(OCOC1CCC(c2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C19H27NO3/c21-19(20-13-5-2-6-14-20)23-15-22-18-11-9-17(10-12-18)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2
InChIKeyLCUJRCTYHWKWQU-UHFFFAOYSA-N
XLogP4.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate?
The IUPAC name of (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate (CID 163392258) is (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate.
What is the SMILES notation for (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate?
The canonical SMILES for (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate is O=C(OCOC1CCC(c2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate?
The InChIKey is LCUJRCTYHWKWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c21-19(20-13-5-2-6-14-20)23-15-22-18-11-9-17(10-12-18)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2.
What are the key properties of (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate?
(4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclohexyl)oxymethyl piperidine-1-carboxylate is sourced from PubChem (CID 163392258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).