[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C22H25ClN2O — CID 118726857

IUPAC[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)16-24-14-11-19(12-15-24)22(26)25-13-3-5-18-4-1-2-6-21(18)25/h1-2,4,6-10,19H,3,5,11-16H2
InChIKeyZCGSMDFXTMZCJS-UHFFFAOYSA-N
MW368.91 g/mol
LogP4.53
Rot. Bonds3

About [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 118726857) has the molecular formula C22H25ClN2O and a molecular weight of 368.91 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID118726857
Molecular FormulaC22H25ClN2O
Molecular Weight368.91 g/mol
Exact Mass368.17
IUPAC Name[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21
InChIInChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)16-24-14-11-19(12-15-24)22(26)25-13-3-5-18-4-1-2-6-21(18)25/h1-2,4,6-10,19H,3,5,11-16H2
InChIKeyZCGSMDFXTMZCJS-UHFFFAOYSA-N
XLogP4.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 118726857) is [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCCc2ccccc21.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ZCGSMDFXTMZCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O/c23-20-9-7-17(8-10-20)16-24-14-11-19(12-15-24)22(26)25-13-3-5-18-4-1-2-6-21(18)25/h1-2,4,6-10,19H,3,5,11-16H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 368.91 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 118726857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).