2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol

C12H18N2O — CID 24904442

IUPAC2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
SMILESN[C@@H]1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C12H18N2O/c13-11-5-3-7-14(9-11)8-10-4-1-2-6-12(10)15/h1-2,4,6,11,15H,3,5,7-9,13H2/t11-/m1/s1
InChIKeyJXYXDWHJIBGHSV-LLVKDONJSA-N
MW206.29 g/mol
LogP1.32
Rot. Bonds2

About 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol

2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol (PubChem CID 24904442) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
PubChem CID24904442
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
SMILESN[C@@H]1CCCN(Cc2ccccc2O)C1
InChIInChI=1S/C12H18N2O/c13-11-5-3-7-14(9-11)8-10-4-1-2-6-12(10)15/h1-2,4,6,11,15H,3,5,7-9,13H2/t11-/m1/s1
InChIKeyJXYXDWHJIBGHSV-LLVKDONJSA-N
XLogP1.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
1-[(3-aminopiperidin-1-yl)methyl]naphthalen-2-ol
CID 61297189
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)phenol
CID 82980243
2-[(3-aminopiperidin-1-yl)methyl]-6-ethoxyphenol
CID 61296269
2-[(6-amino-1,4-diazepan-1-yl)methyl]phenol
CID 175050449
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568
4-[(3-aminopyrrolidin-1-yl)methyl]benzene-1,3-diol
CID 62069032
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
(3S)-1-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperidin-3-amine
CID 99930601
2-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115884823

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol?
The IUPAC name of 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol (CID 24904442) is 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol is N[C@@H]1CCCN(Cc2ccccc2O)C1.
What is the InChIKey of 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol?
The InChIKey is JXYXDWHJIBGHSV-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2O/c13-11-5-3-7-14(9-11)8-10-4-1-2-6-12(10)15/h1-2,4,6,11,15H,3,5,7-9,13H2/t11-/m1/s1.
What are the key properties of 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol?
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol has a molecular weight of 206.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol is sourced from PubChem (CID 24904442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).