methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate

C20H29NO3 — CID 166065009

IUPACmethyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H29NO3/c1-23-20(22)21-14-6-5-9-18(21)15-24-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-15H2,1H3
InChIKeyFERPRVNQKYGUHK-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.35
Rot. Bonds4

About methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate

methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate (PubChem CID 166065009) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
PubChem CID166065009
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Namemethyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H29NO3/c1-23-20(22)21-14-6-5-9-18(21)15-24-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-15H2,1H3
InChIKeyFERPRVNQKYGUHK-UHFFFAOYSA-N
XLogP4.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate (CID 166065009) is methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate is COC(=O)N1CCCCC1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
The InChIKey is FERPRVNQKYGUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-23-20(22)21-14-6-5-9-18(21)15-24-19-12-10-17(11-13-19)16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-15H2,1H3.
What are the key properties of methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate?
methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-phenylcyclohexyl)oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 166065009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).