(3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride

C11H18Cl2N2O — CID 171338829

IUPAC(3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride
SMILESCl.Cl.N[C@]1(c2ccccc2)CCNC[C@H]1O
InChIInChI=1S/C11H16N2O.2ClH/c12-11(6-7-13-8-10(11)14)9-4-2-1-3-5-9;;/h1-5,10,13-14H,6-8,12H2;2*1H/t10-,11+;;/m1../s1
InChIKeyXZSVXWQBLKEYJM-OXPNAJOUSA-N
MW265.18 g/mol
LogP1.04
Rot. Bonds1

About (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride

(3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride (PubChem CID 171338829) has the molecular formula C11H18Cl2N2O and a molecular weight of 265.18 g/mol. Its IUPAC name is (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride
PubChem CID171338829
Molecular FormulaC11H18Cl2N2O
Molecular Weight265.18 g/mol
Exact Mass264.08
IUPAC Name(3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride
SMILESCl.Cl.N[C@]1(c2ccccc2)CCNC[C@H]1O
InChIInChI=1S/C11H16N2O.2ClH/c12-11(6-7-13-8-10(11)14)9-4-2-1-3-5-9;;/h1-5,10,13-14H,6-8,12H2;2*1H/t10-,11+;;/m1../s1
InChIKeyXZSVXWQBLKEYJM-OXPNAJOUSA-N
XLogP1.04
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride?
The IUPAC name of (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride (CID 171338829) is (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride.
What is the SMILES notation for (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride?
The canonical SMILES for (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride is Cl.Cl.N[C@]1(c2ccccc2)CCNC[C@H]1O.
What is the InChIKey of (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride?
The InChIKey is XZSVXWQBLKEYJM-OXPNAJOUSA-N. The full InChI is InChI=1S/C11H16N2O.2ClH/c12-11(6-7-13-8-10(11)14)9-4-2-1-3-5-9;;/h1-5,10,13-14H,6-8,12H2;2*1H/t10-,11+;;/m1../s1.
What are the key properties of (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride?
(3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride has a molecular weight of 265.18 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-4-phenylpiperidin-3-ol;dihydrochloride is sourced from PubChem (CID 171338829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).