2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone

C16H22ClNO — CID 116569209

IUPAC2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccccc2Cl)CCNCC1
InChIInChI=1S/C16H22ClNO/c1-2-7-16(8-10-18-11-9-16)15(19)12-13-5-3-4-6-14(13)17/h3-6,18H,2,7-12H2,1H3
InChIKeyBCOTYVPVDQXBGV-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.62
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone

2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone (PubChem CID 116569209) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
PubChem CID116569209
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
SMILESCCCC1(C(=O)Cc2ccccc2Cl)CCNCC1
InChIInChI=1S/C16H22ClNO/c1-2-7-16(8-10-18-11-9-16)15(19)12-13-5-3-4-6-14(13)17/h3-6,18H,2,7-12H2,1H3
InChIKeyBCOTYVPVDQXBGV-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569084
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
2-(4-hydroxyphenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 116569203
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
2-(3,5-difluorophenyl)-1-(4-propylpiperidin-4-yl)ethanone
CID 105411935
(2-bromophenyl)methyl 4-propylpiperidine-4-carboxylate
CID 82824789
(4-amino-3-chlorophenyl)-(4-propylpiperidin-4-yl)methanone
CID 56932357
2-(2-chlorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62881925
2-(2-chlorophenyl)-1-(4-methyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)ethanone
CID 162342905
2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570610

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone (CID 116569209) is 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone is CCCC1(C(=O)Cc2ccccc2Cl)CCNCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
The InChIKey is BCOTYVPVDQXBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-2-7-16(8-10-18-11-9-16)15(19)12-13-5-3-4-6-14(13)17/h3-6,18H,2,7-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone?
2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone has a molecular weight of 279.81 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-propylpiperidin-4-yl)ethanone is sourced from PubChem (CID 116569209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).