(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C12H15ClN2O2 — CID 107211689

IUPAC(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C12H15ClN2O2/c13-8-3-4-11(14)10(6-8)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7,14H2/t9-/m0/s1
InChIKeyFHJDQGGOTUVQRB-VIFPVBQESA-N
MW254.72 g/mol
LogP1.52
Rot. Bonds1

About (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 107211689) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID107211689
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESNc1ccc(Cl)cc1C(=O)N1CCC[C@H](O)C1
InChIInChI=1S/C12H15ClN2O2/c13-8-3-4-11(14)10(6-8)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7,14H2/t9-/m0/s1
InChIKeyFHJDQGGOTUVQRB-VIFPVBQESA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
(2-amino-5-chlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209681
(5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 114089622
(5-amino-2-fluorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211692
[1-(2-amino-5-chlorobenzoyl)piperidin-3-yl]methylurea
CID 61109976
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(4-chloro-2-nitrophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224582
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
(2-amino-4,5-dimethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211722
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 107211689) is (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is Nc1ccc(Cl)cc1C(=O)N1CCC[C@H](O)C1.
What is the InChIKey of (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is FHJDQGGOTUVQRB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-8-3-4-11(14)10(6-8)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7,14H2/t9-/m0/s1.
What are the key properties of (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 254.72 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 107211689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).