[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride

C17H23ClF2N2O — CID 119436871

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CC1c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C17H22F2N2O.ClH/c1-10(20)16-4-2-3-7-21(16)17(22)13-9-12(13)11-5-6-14(18)15(19)8-11;/h5-6,8,10,12-13,16H,2-4,7,9,20H2,1H3;1H
InChIKeyZFZZNFIHQWVFTF-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.22
Rot. Bonds3

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

[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride (PubChem CID 119436871) has the molecular formula C17H23ClF2N2O and a molecular weight of 344.83 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
PubChem CID119436871
Molecular FormulaC17H23ClF2N2O
Molecular Weight344.83 g/mol
Exact Mass344.15
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CC1c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C17H22F2N2O.ClH/c1-10(20)16-4-2-3-7-21(16)17(22)13-9-12(13)11-5-6-14(18)15(19)8-11;/h5-6,8,10,12-13,16H,2-4,7,9,20H2,1H3;1H
InChIKeyZFZZNFIHQWVFTF-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,5-dichlorophenyl)cyclopropyl]methanone;hydrochloride
CID 119434819
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]methanone
CID 125151836
[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119436442
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 91647027
(2R)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124572542
[4-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone
CID 119519871
(2R,3R)-1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115873
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 119435721
1-[2-(3,4-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119356871
2-[(2S)-1-[(1S,2R)-2-(3,4-difluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]acetic acid
CID 124868689
[2-(1-aminoethyl)morpholin-4-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 86813900
[2-(1-aminoethyl)piperidin-1-yl]-(5-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119436610

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride (CID 119436871) is [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride is CC(N)C1CCCCN1C(=O)C1CC1c1ccc(F)c(F)c1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride?
The InChIKey is ZFZZNFIHQWVFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O.ClH/c1-10(20)16-4-2-3-7-21(16)17(22)13-9-12(13)11-5-6-14(18)15(19)8-11;/h5-6,8,10,12-13,16H,2-4,7,9,20H2,1H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride has a molecular weight of 344.83 g/mol, XLogP of 3.22, 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-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 119436871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).