2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone

C18H25ClN2O2 — CID 119621572

IUPAC2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-13-10-15(19)4-5-17(13)23-12-18(22)21-8-6-16(7-9-21)20-11-14-2-3-14/h4-5,10,14,16,20H,2-3,6-9,11-12H2,1H3
InChIKeyOMWLQSGVSUUEGR-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.02
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone

2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone (PubChem CID 119621572) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
PubChem CID119621572
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-13-10-15(19)4-5-17(13)23-12-18(22)21-8-6-16(7-9-21)20-11-14-2-3-14/h4-5,10,14,16,20H,2-3,6-9,11-12H2,1H3
InChIKeyOMWLQSGVSUUEGR-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119559678
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119621544
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone;hydrochloride
CID 119621657
1-[2-(4-chloro-2-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 9156731
tert-butyl N-[1-[2-(4-chloro-2-methylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 55736323
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119624635
1-[2-(4-chloro-2-methylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63032157
2-(4-chloro-2-methylphenoxy)-1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 79403806
2-(4-chlorophenyl)-N-[1-[2-(2,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108564260
2-(4-chloro-2-methylphenoxy)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 897056
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 119622613
2-(5-chloroquinolin-8-yl)oxy-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 119622234

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone (CID 119621572) is 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone is Cc1cc(Cl)ccc1OCC(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is OMWLQSGVSUUEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-13-10-15(19)4-5-17(13)23-12-18(22)21-8-6-16(7-9-21)20-11-14-2-3-14/h4-5,10,14,16,20H,2-3,6-9,11-12H2,1H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone?
2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 336.86 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 119621572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).