2-amino-4-(piperidin-3-ylmethyl)phenol

C12H18N2O — CID 117117980

IUPAC2-amino-4-(piperidin-3-ylmethyl)phenol
SMILESNc1cc(CC2CCCNC2)ccc1O
InChIInChI=1S/C12H18N2O/c13-11-7-9(3-4-12(11)15)6-10-2-1-5-14-8-10/h3-4,7,10,14-15H,1-2,5-6,8,13H2
InChIKeyBCXCSBXWKUXNPF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-4-(piperidin-3-ylmethyl)phenol

2-amino-4-(piperidin-3-ylmethyl)phenol (PubChem CID 117117980) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-4-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name2-amino-4-(piperidin-3-ylmethyl)phenol
PubChem CID117117980
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-4-(piperidin-3-ylmethyl)phenol
SMILESNc1cc(CC2CCCNC2)ccc1O
InChIInChI=1S/C12H18N2O/c13-11-7-9(3-4-12(11)15)6-10-2-1-5-14-8-10/h3-4,7,10,14-15H,1-2,5-6,8,13H2
InChIKeyBCXCSBXWKUXNPF-UHFFFAOYSA-N
XLogP1.52
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.52
H-Bond Donors ≤ 53
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

2-amino-4-(piperidin-4-ylmethyl)phenol
CID 117117856
3-(piperidin-3-ylmethyl)phenol
CID 57155980
4-(fluoromethyl)-2-(piperidin-3-ylmethyl)phenol
CID 84688586
4-(azepan-3-ylmethyl)aniline
CID 131866248
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
6-(piperidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 116994108
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 2-amino-4-(piperidin-3-ylmethyl)phenol (CID 117117980) is 2-amino-4-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 2-amino-4-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 2-amino-4-(piperidin-3-ylmethyl)phenol is Nc1cc(CC2CCCNC2)ccc1O.
What is the InChIKey of 2-amino-4-(piperidin-3-ylmethyl)phenol?
The InChIKey is BCXCSBXWKUXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-7-9(3-4-12(11)15)6-10-2-1-5-14-8-10/h3-4,7,10,14-15H,1-2,5-6,8,13H2.
What are the key properties of 2-amino-4-(piperidin-3-ylmethyl)phenol?
2-amino-4-(piperidin-3-ylmethyl)phenol has a molecular weight of 206.29 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 117117980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).