phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone

C19H28N2O — CID 40776058

IUPACphenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCC[C@H]1CCN1CCCCC1
InChIInChI=1S/C19H28N2O/c22-19(17-9-3-1-4-10-17)21-15-8-5-11-18(21)12-16-20-13-6-2-7-14-20/h1,3-4,9-10,18H,2,5-8,11-16H2/t18-/m0/s1
InChIKeyRCDIVBQDGNALGO-SFHVURJKSA-N
MW300.45 g/mol
LogP3.56
Rot. Bonds4

About phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone

phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 40776058) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
PubChem CID40776058
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Namephenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCCC[C@H]1CCN1CCCCC1
InChIInChI=1S/C19H28N2O/c22-19(17-9-3-1-4-10-17)21-15-8-5-11-18(21)12-16-20-13-6-2-7-14-20/h1,3-4,9-10,18H,2,5-8,11-16H2/t18-/m0/s1
InChIKeyRCDIVBQDGNALGO-SFHVURJKSA-N
XLogP3.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
(4-bromophenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 17011291
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 23607107
[(2R)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 26819143
(3-methylphenyl)-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984382
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(2-chlorophenyl)methanone
CID 23607111
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068

Frequently Asked Questions

What is the IUPAC name of phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone (CID 40776058) is phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCCC[C@H]1CCN1CCCCC1.
What is the InChIKey of phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is RCDIVBQDGNALGO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(17-9-3-1-4-10-17)21-15-8-5-11-18(21)12-16-20-13-6-2-7-14-20/h1,3-4,9-10,18H,2,5-8,11-16H2/t18-/m0/s1.
What are the key properties of phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone?
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 40776058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).