[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride

C17H23Cl3N2O — CID 119434819

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CC1c1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C17H22Cl2N2O.ClH/c1-10(20)16-4-2-3-5-21(16)17(22)15-9-14(15)11-6-12(18)8-13(19)7-11;/h6-8,10,14-16H,2-5,9,20H2,1H3;1H
InChIKeyOGNNKAHCEKYLOS-UHFFFAOYSA-N
MW377.74 g/mol
LogP4.25
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride (PubChem CID 119434819) has the molecular formula C17H23Cl3N2O and a molecular weight of 377.74 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride
PubChem CID119434819
Molecular FormulaC17H23Cl3N2O
Molecular Weight377.74 g/mol
Exact Mass376.09
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CC1c1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C17H22Cl2N2O.ClH/c1-10(20)16-4-2-3-5-21(16)17(22)15-9-14(15)11-6-12(18)8-13(19)7-11;/h6-8,10,14-16H,2-5,9,20H2,1H3;1H
InChIKeyOGNNKAHCEKYLOS-UHFFFAOYSA-N
XLogP4.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.74
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 125151836
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119436871
[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119436442
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]piperidine-2-carboxamide
CID 75373592
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 119435721
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610
[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119436103
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113476
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(2-bromo-4-chlorophenyl)methanone;hydrochloride
CID 119436502
[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
CID 119435711
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 124685615

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride (CID 119434819) is [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride is CC(N)C1CCCCN1C(=O)C1CC1c1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride?
The InChIKey is OGNNKAHCEKYLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O.ClH/c1-10(20)16-4-2-3-5-21(16)17(22)15-9-14(15)11-6-12(18)8-13(19)7-11;/h6-8,10,14-16H,2-5,9,20H2,1H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride has a molecular weight of 377.74 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 119434819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).