phenyl-(1-propylpiperidin-3-yl)methanone

C15H21NO — CID 91406553

IUPACphenyl-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-2-10-16-11-6-9-14(12-16)15(17)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyJZJAYGFHHXHQNY-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds4

About phenyl-(1-propylpiperidin-3-yl)methanone

phenyl-(1-propylpiperidin-3-yl)methanone (PubChem CID 91406553) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is phenyl-(1-propylpiperidin-3-yl)methanone.

Molecular Properties

Compound Namephenyl-(1-propylpiperidin-3-yl)methanone
PubChem CID91406553
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Namephenyl-(1-propylpiperidin-3-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H21NO/c1-2-10-16-11-6-9-14(12-16)15(17)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyJZJAYGFHHXHQNY-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 121479164
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 95130724
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 42209681
(1-hexylpiperidin-4-yl)-phenylmethanone
CID 21135926
(1-heptylpiperidin-4-yl)-phenylmethanone
CID 72793584
3-phenyl-1-propylpiperidine
CID 12937946
(3-chlorophenyl)-[1-(2-hydroxyethyl)piperidin-3-yl]methanone
CID 126462062
(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 45229638
1-(3-benzoylpiperidin-1-yl)-3-methylbutan-1-one
CID 110394462

Frequently Asked Questions

What is the IUPAC name of phenyl-(1-propylpiperidin-3-yl)methanone?
The IUPAC name of phenyl-(1-propylpiperidin-3-yl)methanone (CID 91406553) is phenyl-(1-propylpiperidin-3-yl)methanone.
What is the SMILES notation for phenyl-(1-propylpiperidin-3-yl)methanone?
The canonical SMILES for phenyl-(1-propylpiperidin-3-yl)methanone is CCCN1CCCC(C(=O)c2ccccc2)C1.
What is the InChIKey of phenyl-(1-propylpiperidin-3-yl)methanone?
The InChIKey is JZJAYGFHHXHQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-10-16-11-6-9-14(12-16)15(17)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3.
What are the key properties of phenyl-(1-propylpiperidin-3-yl)methanone?
phenyl-(1-propylpiperidin-3-yl)methanone has a molecular weight of 231.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-propylpiperidin-3-yl)methanone is sourced from PubChem (CID 91406553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).