butyl 4-phenylpiperidine-1-carboxylate

C16H23NO2 — CID 22918551

IUPACbutyl 4-phenylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-3-13-19-16(18)17-11-9-15(10-12-17)14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3
InChIKeyXSBMFRVPQRHLKT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.80
Rot. Bonds4

About butyl 4-phenylpiperidine-1-carboxylate

butyl 4-phenylpiperidine-1-carboxylate (PubChem CID 22918551) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is butyl 4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-phenylpiperidine-1-carboxylate
PubChem CID22918551
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namebutyl 4-phenylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H23NO2/c1-2-3-13-19-16(18)17-11-9-15(10-12-17)14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3
InChIKeyXSBMFRVPQRHLKT-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-(4-aminophenyl)piperidine-1-carboxylate
CID 90886963
butyl 4-amino-3-phenylpiperidine-1-carboxylate
CID 155601155
butyl 6-phenyl-2-azaspiro[3.4]octane-2-carboxylate
CID 175842476
butyl 2-(3-phenylpyrrolidin-1-yl)acetate
CID 51128738
butyl 3-phenylpiperazine-1-carboxylate
CID 82246377
butyl aziridine-1-carboxylate
CID 12641
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
butyl (3S,4S)-3-hydroxy-4-(3-phenylpropyl)piperidine-1-carboxylate
CID 70214164
butyl 3-hydroxy-4-(3-phenylpropyl)piperidine-1-carboxylate
CID 70214162
butyl 4-(4-bromophenoxy)piperidine-1-carboxylate
CID 151208440
butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate
CID 108569114

Frequently Asked Questions

What is the IUPAC name of butyl 4-phenylpiperidine-1-carboxylate?
The IUPAC name of butyl 4-phenylpiperidine-1-carboxylate (CID 22918551) is butyl 4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for butyl 4-phenylpiperidine-1-carboxylate?
The canonical SMILES for butyl 4-phenylpiperidine-1-carboxylate is CCCCOC(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of butyl 4-phenylpiperidine-1-carboxylate?
The InChIKey is XSBMFRVPQRHLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-3-13-19-16(18)17-11-9-15(10-12-17)14-7-5-4-6-8-14/h4-8,15H,2-3,9-13H2,1H3.
What are the key properties of butyl 4-phenylpiperidine-1-carboxylate?
butyl 4-phenylpiperidine-1-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 22918551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).