phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone

C21H25NO — CID 168948503

IUPACphenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C21H25NO/c23-21(20-12-5-2-6-13-20)22-16-14-19(15-17-22)11-7-10-18-8-3-1-4-9-18/h1-6,8-9,12-13,19H,7,10-11,14-17H2
InChIKeyMPFLSRYPJZFORU-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.56
Rot. Bonds5

About phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone

phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone (PubChem CID 168948503) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
PubChem CID168948503
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Namephenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C21H25NO/c23-21(20-12-5-2-6-13-20)22-16-14-19(15-17-22)11-7-10-18-8-3-1-4-9-18/h1-6,8-9,12-13,19H,7,10-11,14-17H2
InChIKeyMPFLSRYPJZFORU-UHFFFAOYSA-N
XLogP4.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-phenylpropyl)piperidine-1-carboxylic acid
CID 67759674
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
2-chloro-1-[4-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 19961796
(4-aminophenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone;hydrochloride
CID 119698759
6-bromo-1-[4-(3-phenylpropyl)piperidin-1-yl]hexan-1-one
CID 70078879
7-bromo-1-[4-(3-phenylpropyl)piperidin-1-yl]heptan-1-one
CID 70078088
[4-[2-(azetidin-3-yl)ethyl]piperidin-1-yl]-phenylmethanone
CID 90953914
phenyl-[4-(2-phenylethylamino)piperidin-1-yl]methanone
CID 142654870
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
[4-[(4-benzylpiperazin-1-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 110284785
4-[3-(4-chlorophenyl)propyl]piperidine-1-carboxylic acid
CID 67084616
[4-(9-cyclohexylnonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 70792444

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone (CID 168948503) is phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(CCCc2ccccc2)CC1.
What is the InChIKey of phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone?
The InChIKey is MPFLSRYPJZFORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c23-21(20-12-5-2-6-13-20)22-16-14-19(15-17-22)11-7-10-18-8-3-1-4-9-18/h1-6,8-9,12-13,19H,7,10-11,14-17H2.
What are the key properties of phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone?
phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone has a molecular weight of 307.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(3-phenylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 168948503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).