[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride

C24H31ClN2O2 — CID 119435721

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CC1c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C24H30N2O2.ClH/c1-17(25)23-9-5-6-14-26(23)24(27)22-15-21(22)19-10-12-20(13-11-19)28-16-18-7-3-2-4-8-18;/h2-4,7-8,10-13,17,21-23H,5-6,9,14-16,25H2,1H3;1H
InChIKeyAYRHYABJPSJVTQ-UHFFFAOYSA-N
MW414.98 g/mol
LogP4.52
Rot. Bonds6

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

[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride (PubChem CID 119435721) has the molecular formula C24H31ClN2O2 and a molecular weight of 414.98 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride
PubChem CID119435721
Molecular FormulaC24H31ClN2O2
Molecular Weight414.98 g/mol
Exact Mass414.21
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CC1c1ccc(OCc2ccccc2)cc1.Cl
InChIInChI=1S/C24H30N2O2.ClH/c1-17(25)23-9-5-6-14-26(23)24(27)22-15-21(22)19-10-12-20(13-11-19)28-16-18-7-3-2-4-8-18;/h2-4,7-8,10-13,17,21-23H,5-6,9,14-16,25H2,1H3;1H
InChIKeyAYRHYABJPSJVTQ-UHFFFAOYSA-N
XLogP4.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
[2-(1-aminoethyl)piperidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone
CID 119436442
[2-(1-aminoethyl)piperidin-1-yl]-[2-(3,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119436871
1-[4-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 166287114
[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
trans-ethyl (1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxylate
CID 66714771
N-(3-aminobutyl)-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119496644
N-methyl-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 56787945
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
1-[2-(1-aminoethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119434457
3-(hydroxymethyl)-1-[(1R,2R)-2-(4-phenylmethoxyphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 166307589

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride (CID 119435721) is [2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride is CC(N)C1CCCCN1C(=O)C1CC1c1ccc(OCc2ccccc2)cc1.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride?
The InChIKey is AYRHYABJPSJVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2.ClH/c1-17(25)23-9-5-6-14-26(23)24(27)22-15-21(22)19-10-12-20(13-11-19)28-16-18-7-3-2-4-8-18;/h2-4,7-8,10-13,17,21-23H,5-6,9,14-16,25H2,1H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-[2-(4-phenylmethoxyphenyl)cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 119435721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).