(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone

C12H16N2O2 — CID 53007694

IUPAC(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C12H16N2O2/c13-10-8-9(4-5-11(10)15)12(16)14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,13H2
InChIKeyQFSYWBDLXSRZKT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.60
Rot. Bonds1

About (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone

(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone (PubChem CID 53007694) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
PubChem CID53007694
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCCC2)ccc1O
InChIInChI=1S/C12H16N2O2/c13-10-8-9(4-5-11(10)15)12(16)14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,13H2
InChIKeyQFSYWBDLXSRZKT-UHFFFAOYSA-N
XLogP1.60
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-fluorophenyl)-piperidin-1-ylmethanone
CID 39245269
[3-amino-4-(methylamino)phenyl]-piperidin-1-ylmethanone
CID 154253813
[3-amino-4-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 138911089
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(4-amino-3-bromophenyl)-pyrrolidin-1-ylmethanone
CID 54850336
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone
CID 104627285
3-amino-4-hydroxybenzoic acid
CID 161134080
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(4-amino-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 162420392
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
[3-amino-4-(2,2,2-trifluoroethoxy)phenyl]-piperidin-1-ylmethanone
CID 171933212

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone (CID 53007694) is (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone is Nc1cc(C(=O)N2CCCCC2)ccc1O.
What is the InChIKey of (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is QFSYWBDLXSRZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-10-8-9(4-5-11(10)15)12(16)14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,13H2.
What are the key properties of (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone?
(3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 220.27 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-hydroxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 53007694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).