2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride

C18H26Cl2N2O — CID 119624978

IUPAC2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCC(NCC2CC2)CC1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H25ClN2O.ClH/c1-13(15-3-2-4-16(19)11-15)18(22)21-9-7-17(8-10-21)20-12-14-5-6-14;/h2-4,11,13-14,17,20H,5-10,12H2,1H3;1H
InChIKeyFJAPTXBLWUQKLQ-UHFFFAOYSA-N
MW357.32 g/mol
LogP3.86
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride

2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119624978) has the molecular formula C18H26Cl2N2O and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119624978
Molecular FormulaC18H26Cl2N2O
Molecular Weight357.32 g/mol
Exact Mass356.14
IUPAC Name2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCC(C(=O)N1CCC(NCC2CC2)CC1)c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H25ClN2O.ClH/c1-13(15-3-2-4-16(19)11-15)18(22)21-9-7-17(8-10-21)20-12-14-5-6-14;/h2-4,11,13-14,17,20H,5-10,12H2,1H3;1H
InChIKeyFJAPTXBLWUQKLQ-UHFFFAOYSA-N
XLogP3.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3-fluorophenyl)propan-1-one
CID 119621964
1-[(2R)-2-(3-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 125134350
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-chlorophenyl)propan-1-one
CID 119520449
[1-[(2S)-2-(3-chlorophenyl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 96510197
2-(3-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one;hydrochloride
CID 119638893
2-(3-chlorophenyl)-1-piperazin-1-ylpropan-1-one
CID 82511839
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
2-(3-tert-butylphenoxy)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119622835
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 119624500
[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119621879

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride (CID 119624978) is 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride is CC(C(=O)N1CCC(NCC2CC2)CC1)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is FJAPTXBLWUQKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O.ClH/c1-13(15-3-2-4-16(19)11-15)18(22)21-9-7-17(8-10-21)20-12-14-5-6-14;/h2-4,11,13-14,17,20H,5-10,12H2,1H3;1H.
What are the key properties of 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride?
2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 357.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119624978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).