butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate

C18H27NO3 — CID 19960200

IUPACbutyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccccc2)(C(C)O)CC1
InChIInChI=1S/C18H27NO3/c1-3-4-14-22-17(21)19-12-10-18(11-13-19,15(2)20)16-8-6-5-7-9-16/h5-9,15,20H,3-4,10-14H2,1-2H3
InChIKeyWZKNSMGAWAYLJT-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.34
Rot. Bonds5

About butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate

butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate (PubChem CID 19960200) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate
PubChem CID19960200
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Namebutyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccccc2)(C(C)O)CC1
InChIInChI=1S/C18H27NO3/c1-3-4-14-22-17(21)19-12-10-18(11-13-19,15(2)20)16-8-6-5-7-9-16/h5-9,15,20H,3-4,10-14H2,1-2H3
InChIKeyWZKNSMGAWAYLJT-UHFFFAOYSA-N
XLogP3.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-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

butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate
CID 22922288
1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 19044683
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
butyl aziridine-1-carboxylate
CID 12641
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 23194322
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300
butyl 4-(4-phenoxybutanoyl)piperazine-1-carboxylate
CID 108569114
butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 118310148
1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
CID 67036881
butyl 6-phenyl-2-azaspiro[3.4]octane-2-carboxylate
CID 175842476

Frequently Asked Questions

What is the IUPAC name of butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate?
The IUPAC name of butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate (CID 19960200) is butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate is CCCCOC(=O)N1CCC(c2ccccc2)(C(C)O)CC1.
What is the InChIKey of butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate?
The InChIKey is WZKNSMGAWAYLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-3-4-14-22-17(21)19-12-10-18(11-13-19,15(2)20)16-8-6-5-7-9-16/h5-9,15,20H,3-4,10-14H2,1-2H3.
What are the key properties of butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate?
butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 19960200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).