1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate

C19H20NO2- — CID 164771735

IUPAC1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H21NO2/c21-19(22)18-10-12-20(13-11-18)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,22)/p-1
InChIKeyPTUQUNFYMICQEG-UHFFFAOYSA-M
MW294.37 g/mol
LogP2.32
Rot. Bonds4

About 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate

1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate (PubChem CID 164771735) has the molecular formula C19H20NO2- and a molecular weight of 294.37 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
PubChem CID164771735
Molecular FormulaC19H20NO2-
Molecular Weight294.37 g/mol
Exact Mass294.15
IUPAC Name1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H21NO2/c21-19(22)18-10-12-20(13-11-18)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,22)/p-1
InChIKeyPTUQUNFYMICQEG-UHFFFAOYSA-M
XLogP2.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-[(4-phenylphenyl)methyl]azetidine-3-carboxylic acid
CID 59451803
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
1-[(4-phenylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 122035787
1-[(2-hydroxy-5-phenylphenyl)methyl]piperidine-4-carboxylic acid
CID 166237351
lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate
CID 155146392
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
4-(4-phenylphenyl)cyclohexane-1-carboxylate
CID 4620485

Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate (CID 164771735) is 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate is O=C([O-])C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is PTUQUNFYMICQEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21NO2/c21-19(22)18-10-12-20(13-11-18)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,22)/p-1.
What are the key properties of 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate?
1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 164771735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).