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

C18H25ClN2O2 — CID 126829389

IUPAC2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(CO)(NCC2CC2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-16-5-3-14(4-6-16)11-17(23)21-9-7-18(13-22,8-10-21)20-12-15-1-2-15/h3-6,15,20,22H,1-2,7-13H2
InChIKeyOACYENVYYXOGQA-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.24
Rot. Bonds6

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

2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 126829389) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID126829389
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(CO)(NCC2CC2)CC1
InChIInChI=1S/C18H25ClN2O2/c19-16-5-3-14(4-6-16)11-17(23)21-9-7-18(13-22,8-10-21)20-12-15-1-2-15/h3-6,15,20,22H,1-2,7-13H2
InChIKeyOACYENVYYXOGQA-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-1-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]ethanone
CID 119720794
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
1-[4-(aminooxymethyl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 39382607
3-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]propanoic acid
CID 62215948
2-(4-chlorophenyl)-1-[4-[5-(cyclopropylmethylamino)pentoxy]piperidin-1-yl]ethanone
CID 141050449
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922215
1-(4-acetylpiperidin-1-yl)-2-(4-chlorophenyl)ethanone
CID 110477076
2-(4-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119930221
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-4-(methylamino)butan-1-one;hydrochloride
CID 119720775
2-(4-chlorophenyl)-1-[4-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 110736048

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone (CID 126829389) is 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(Cc1ccc(Cl)cc1)N1CCC(CO)(NCC2CC2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is OACYENVYYXOGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c19-16-5-3-14(4-6-16)11-17(23)21-9-7-18(13-22,8-10-21)20-12-15-1-2-15/h3-6,15,20,22H,1-2,7-13H2.
What are the key properties of 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone?
2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 336.86 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[4-(cyclopropylmethylamino)-4-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126829389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).