(3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride

C16H26Cl2N2O — CID 52942942

IUPAC(3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.O[C@@H]1CCNC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O.2ClH/c19-16-6-9-17-12-15(16)18-10-7-14(8-11-18)13-4-2-1-3-5-13;;/h1-5,14-17,19H,6-12H2;2*1H/t15-,16-;;/m1../s1
InChIKeyATFBEUWZLDFSDW-UWGSCQAASA-N
MW333.30 g/mol
LogP2.43
Rot. Bonds2

About (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride

(3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride (PubChem CID 52942942) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name(3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride
PubChem CID52942942
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name(3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.O[C@@H]1CCNC[C@H]1N1CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24N2O.2ClH/c19-16-6-9-17-12-15(16)18-10-7-14(8-11-18)13-4-2-1-3-5-13;;/h1-5,14-17,19H,6-12H2;2*1H/t15-,16-;;/m1../s1
InChIKeyATFBEUWZLDFSDW-UWGSCQAASA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride?
The IUPAC name of (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride (CID 52942942) is (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride.
What is the SMILES notation for (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride?
The canonical SMILES for (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride is Cl.Cl.O[C@@H]1CCNC[C@H]1N1CCC(c2ccccc2)CC1.
What is the InChIKey of (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride?
The InChIKey is ATFBEUWZLDFSDW-UWGSCQAASA-N. The full InChI is InChI=1S/C16H24N2O.2ClH/c19-16-6-9-17-12-15(16)18-10-7-14(8-11-18)13-4-2-1-3-5-13;;/h1-5,14-17,19H,6-12H2;2*1H/t15-,16-;;/m1../s1.
What are the key properties of (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride?
(3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride has a molecular weight of 333.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 52942942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).