[2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone

C21H25ClN2O2 — CID 126444298

IUPAC[2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cccc([C@H]2CCCN(C(=O)c3cc(Cl)ccc3OCCN)C2)c1
InChIInChI=1S/C21H25ClN2O2/c1-15-4-2-5-16(12-15)17-6-3-10-24(14-17)21(25)19-13-18(22)7-8-20(19)26-11-9-23/h2,4-5,7-8,12-13,17H,3,6,9-11,14,23H2,1H3/t17-/m0/s1
InChIKeyPKDCYPZPJRTKFF-KRWDZBQOSA-N
MW372.90 g/mol
LogP4.01
Rot. Bonds5

About [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone

[2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone (PubChem CID 126444298) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone
PubChem CID126444298
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name[2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cccc([C@H]2CCCN(C(=O)c3cc(Cl)ccc3OCCN)C2)c1
InChIInChI=1S/C21H25ClN2O2/c1-15-4-2-5-16(12-15)17-6-3-10-24(14-17)21(25)19-13-18(22)7-8-20(19)26-11-9-23/h2,4-5,7-8,12-13,17H,3,6,9-11,14,23H2,1H3/t17-/m0/s1
InChIKeyPKDCYPZPJRTKFF-KRWDZBQOSA-N
XLogP4.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(2-aminoethoxy)-5-methylphenyl]-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 171708461
(3S)-1-[5-chloro-2-(2-methoxyethoxy)benzoyl]piperidine-3-carboxylic acid
CID 120684515
(3S)-1-(5-chloro-2-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119173685
(5-chloro-2-methoxyphenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146503
[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-(2-aminoethoxy)-5-chlorophenyl]methanone
CID 118783454
[2-(2-aminoethoxy)-5-methylphenyl]-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]methanone
CID 118777352
[5-chloro-2-(2-methoxyethoxy)phenyl]-[(3S)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124686339
1-(5-chloro-2-propoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 71977674
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
(5-chloro-2-propoxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71973264
[2-(2-aminoethoxy)-5-chlorophenyl]-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]methanone
CID 155506511
(5-chloro-2-methoxyphenyl)-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146976

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone (CID 126444298) is [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone is Cc1cccc([C@H]2CCCN(C(=O)c3cc(Cl)ccc3OCCN)C2)c1.
What is the InChIKey of [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is PKDCYPZPJRTKFF-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-15-4-2-5-16(12-15)17-6-3-10-24(14-17)21(25)19-13-18(22)7-8-20(19)26-11-9-23/h2,4-5,7-8,12-13,17H,3,6,9-11,14,23H2,1H3/t17-/m0/s1.
What are the key properties of [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone?
[2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 372.90 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethoxy)-5-chlorophenyl]-[(3R)-3-(3-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126444298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).