[3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone

C17H22Cl2N2O — CID 119593050

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
SMILESCC(N)C1CCCN(C(=O)C2CC2c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H22Cl2N2O/c1-10(20)11-3-2-6-21(9-11)17(22)15-8-14(15)13-5-4-12(18)7-16(13)19/h4-5,7,10-11,14-15H,2-3,6,8-9,20H2,1H3
InChIKeySBFMMXKIVZUZAG-UHFFFAOYSA-N
MW341.28 g/mol
LogP3.68
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone

[3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone (PubChem CID 119593050) has the molecular formula C17H22Cl2N2O and a molecular weight of 341.28 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
PubChem CID119593050
Molecular FormulaC17H22Cl2N2O
Molecular Weight341.28 g/mol
Exact Mass340.11
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone
SMILESCC(N)C1CCCN(C(=O)C2CC2c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H22Cl2N2O/c1-10(20)11-3-2-6-21(9-11)17(22)15-8-14(15)13-5-4-12(18)7-16(13)19/h4-5,7,10-11,14-15H,2-3,6,8-9,20H2,1H3
InChIKeySBFMMXKIVZUZAG-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 125146800
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R,2S)-2-(2,3-dichlorophenyl)cyclopropyl]methanone
CID 124691738
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-chloro-6-fluorophenyl)cyclopropyl]methanone
CID 119596306
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 125146300
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 125135536
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone;hydrochloride
CID 119592635
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(2,4-dichlorophenyl)pyrazol-4-yl]methanone
CID 124690973
[3-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82879665
[2-(2-chlorophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022801
[2-(aminomethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119466453
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-pyrrolidin-1-ylmethanone
CID 119594689
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-bromo-4-chlorophenyl)ethanone
CID 125147046

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone (CID 119593050) is [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone is CC(N)C1CCCN(C(=O)C2CC2c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone?
The InChIKey is SBFMMXKIVZUZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O/c1-10(20)11-3-2-6-21(9-11)17(22)15-8-14(15)13-5-4-12(18)7-16(13)19/h4-5,7,10-11,14-15H,2-3,6,8-9,20H2,1H3.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone?
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone has a molecular weight of 341.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[2-(2,4-dichlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 119593050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).