(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride

C12H19ClN2O — CID 67227523

IUPAC(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C12H18N2O.ClH/c13-11-6-7-14(9-12(11)15)8-10-4-2-1-3-5-10;/h1-5,11-12,15H,6-9,13H2;1H/t11-,12+;/m1./s1
InChIKeyVNSKSZJQGIXRFR-LYCTWNKOSA-N
MW242.75 g/mol
LogP1.00
Rot. Bonds2

About (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride

(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride (PubChem CID 67227523) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
PubChem CID67227523
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
SMILESCl.N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C12H18N2O.ClH/c13-11-6-7-14(9-12(11)15)8-10-4-2-1-3-5-10;/h1-5,11-12,15H,6-9,13H2;1H/t11-,12+;/m1./s1
InChIKeyVNSKSZJQGIXRFR-LYCTWNKOSA-N
XLogP1.00
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride?
The IUPAC name of (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride (CID 67227523) is (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride.
What is the SMILES notation for (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride?
The canonical SMILES for (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride is Cl.N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1O.
What is the InChIKey of (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride?
The InChIKey is VNSKSZJQGIXRFR-LYCTWNKOSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c13-11-6-7-14(9-12(11)15)8-10-4-2-1-3-5-10;/h1-5,11-12,15H,6-9,13H2;1H/t11-,12+;/m1./s1.
What are the key properties of (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride?
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride is sourced from PubChem (CID 67227523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).