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

C12H20Cl2N2O — CID 163338239

IUPAC(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C12H18N2O.2ClH/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;2*1H/t11-,12-;;/m1../s1
InChIKeyDDCCXFQHNFOGQN-MBORUXJMSA-N
MW279.21 g/mol
LogP1.42
Rot. Bonds2

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

(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride (PubChem CID 163338239) has the molecular formula C12H20Cl2N2O and a molecular weight of 279.21 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
PubChem CID163338239
Molecular FormulaC12H20Cl2N2O
Molecular Weight279.21 g/mol
Exact Mass278.10
IUPAC Name(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O
InChIInChI=1S/C12H18N2O.2ClH/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;2*1H/t11-,12-;;/m1../s1
InChIKeyDDCCXFQHNFOGQN-MBORUXJMSA-N
XLogP1.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-benzyl-4-(iodomethyl)piperidin-3-ol
CID 71649873
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
1-benzyl-3-hydroxypiperidine-4-carboxamide
CID 146447166
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(3S,4S)-1-benzyl-4-[(dimethylamino)methyl]piperidin-3-ol
CID 129427984
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 70769986

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride?
The IUPAC name of (3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride (CID 163338239) is (3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride.
What is the SMILES notation for (3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride?
The canonical SMILES for (3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride is Cl.Cl.N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O.
What is the InChIKey of (3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride?
The InChIKey is DDCCXFQHNFOGQN-MBORUXJMSA-N. The full InChI is InChI=1S/C12H18N2O.2ClH/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;2*1H/t11-,12-;;/m1../s1.
What are the key properties of (3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride?
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride has a molecular weight of 279.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride is sourced from PubChem (CID 163338239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).