2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone

C14H19ClN2O — CID 90382743

IUPAC2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-16-12-6-8-17(9-7-12)14(18)10-11-4-2-3-5-13(11)15/h2-5,12,16H,6-10H2,1H3
InChIKeyDOIDWXCCMKKHAB-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.09
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone (PubChem CID 90382743) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
PubChem CID90382743
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCN(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C14H19ClN2O/c1-16-12-6-8-17(9-7-12)14(18)10-11-4-2-3-5-13(11)15/h2-5,12,16H,6-10H2,1H3
InChIKeyDOIDWXCCMKKHAB-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108932983
2-(2-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260723
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-cyanoacetamide
CID 108922333
2-[3-[(2-chlorophenyl)methoxy]phenyl]-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562373
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone (CID 90382743) is 2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone is CNC1CCN(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is DOIDWXCCMKKHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-16-12-6-8-17(9-7-12)14(18)10-11-4-2-3-5-13(11)15/h2-5,12,16H,6-10H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 266.77 g/mol, XLogP of 2.09, 3 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-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 90382743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).