(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone

C15H22N2O2 — CID 63107682

IUPAC(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
SMILESCC(C)Nc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H22N2O2/c1-11(2)16-14-8-4-3-7-13(14)15(19)17-9-5-6-12(18)10-17/h3-4,7-8,11-12,16,18H,5-6,9-10H2,1-2H3
InChIKeyBANDRUIXGQHTGA-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.10
Rot. Bonds3

About (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone

(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone (PubChem CID 63107682) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
PubChem CID63107682
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
SMILESCC(C)Nc1ccccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H22N2O2/c1-11(2)16-14-8-4-3-7-13(14)15(19)17-9-5-6-12(18)10-17/h3-4,7-8,11-12,16,18H,5-6,9-10H2,1-2H3
InChIKeyBANDRUIXGQHTGA-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107586
1-[2-(propan-2-ylamino)benzoyl]piperidine-3-carboxylic acid
CID 171389822
(3-methylpyrrolidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63108073
[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(propan-2-ylamino)phenyl]methanone
CID 64599208
[2-(propan-2-ylamino)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 63107797
[2-(3-cyclopentylpropylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 71855541
(3-hydroxypiperidin-1-yl)-[2-(3-phenylpropylamino)phenyl]methanone
CID 111753525
[2-[(2-fluorophenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110900298
[2-[(2,5-dimethylphenyl)methylamino]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 60536898
4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
CID 79681452
(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
CID 154736364
N-(2-chlorophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536747

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone (CID 63107682) is (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone is CC(C)Nc1ccccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone?
The InChIKey is BANDRUIXGQHTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)16-14-8-4-3-7-13(14)15(19)17-9-5-6-12(18)10-17/h3-4,7-8,11-12,16,18H,5-6,9-10H2,1-2H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone has a molecular weight of 262.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone is sourced from PubChem (CID 63107682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).