[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone

C13H18N2O2 — CID 102538189

IUPAC[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
SMILESNc1ccc(CO)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C13H18N2O2/c14-11-5-4-10(9-16)12(8-11)13(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9,14H2
InChIKeyVKAAOCHBXGSQOS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.39
Rot. Bonds2

About [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone

[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 102538189) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
PubChem CID102538189
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone
SMILESNc1ccc(CO)c(C(=O)N2CCCCC2)c1
InChIInChI=1S/C13H18N2O2/c14-11-5-4-10(9-16)12(8-11)13(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9,14H2
InChIKeyVKAAOCHBXGSQOS-UHFFFAOYSA-N
XLogP1.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.39
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

(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
[5-amino-2-(dimethylamino)phenyl]-piperidin-1-ylmethanone
CID 61091481
[5-amino-2-(methylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100637847
[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
CID 91683043
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 120640613
[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 91683050
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505
[5-amino-2-(naphthalen-1-ylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100644540
[5-amino-2-(2-methylpropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100638822
[5-amino-2-(benzylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100640718
5-amino-2-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 43379980
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone (CID 102538189) is [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone is Nc1ccc(CO)c(C(=O)N2CCCCC2)c1.
What is the InChIKey of [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is VKAAOCHBXGSQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-5-4-10(9-16)12(8-11)13(17)15-6-2-1-3-7-15/h4-5,8,16H,1-3,6-7,9,14H2.
What are the key properties of [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone?
[5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 234.30 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(hydroxymethyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 102538189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).