1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol

C14H22N2O2 — CID 62265580

IUPAC1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESNc1ccc(C(O)CN2CCCCC2CO)cc1
InChIInChI=1S/C14H22N2O2/c15-12-6-4-11(5-7-12)14(18)9-16-8-2-1-3-13(16)10-17/h4-7,13-14,17-18H,1-3,8-10,15H2
InChIKeyPHSBNQDLZDMRSM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.15
Rot. Bonds4

About 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol

1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol (PubChem CID 62265580) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
PubChem CID62265580
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
SMILESNc1ccc(C(O)CN2CCCCC2CO)cc1
InChIInChI=1S/C14H22N2O2/c15-12-6-4-11(5-7-12)14(18)9-16-8-2-1-3-13(16)10-17/h4-7,13-14,17-18H,1-3,8-10,15H2
InChIKeyPHSBNQDLZDMRSM-UHFFFAOYSA-N
XLogP1.15
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 62264924
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
(1R)-1-(3,4-difluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 95334420
[1-[2-(4-aminophenyl)ethyl]azepan-2-yl]methanol
CID 116634212
1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
CID 62266444
1-(2-fluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 110892142
(1S)-1-(2-bromophenyl)-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 97326124
3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
1-(3-amino-4-methylphenyl)-2-(2-ethylpiperidin-1-yl)ethanol
CID 82071378
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63171581

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol (CID 62265580) is 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol is Nc1ccc(C(O)CN2CCCCC2CO)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol?
The InChIKey is PHSBNQDLZDMRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-12-6-4-11(5-7-12)14(18)9-16-8-2-1-3-13(16)10-17/h4-7,13-14,17-18H,1-3,8-10,15H2.
What are the key properties of 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol?
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 62265580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).