(3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol

C16H24N2O — CID 9859994

IUPAC(3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
SMILESC1CNC[C@H]([C@@H]1O)N2CCC(CC2)C3=CC=CC=C3
InChIInChI=1S/C16H24N2O/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/t15-,16-/m1/s1
InChIKeyXUPDJGDKEAPXHU-HZPDHXFCSA-N
MW260.37 g/mol
LogP1.60
Rot. Bonds2

About (3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol

(3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol (PubChem CID 9859994) has the molecular formula C16H24N2O and a molecular weight of 260.37 g/mol. Its IUPAC name is (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol
PubChem CID9859994
Molecular FormulaC16H24N2O
Molecular Weight260.37 g/mol
Exact Mass260.19
IUPAC Name(3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol
SMILESC1CNC[C@H]([C@@H]1O)N2CCC(CC2)C3=CC=CC=C3
InChIInChI=1S/C16H24N2O/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/t15-,16-/m1/s1
InChIKeyXUPDJGDKEAPXHU-HZPDHXFCSA-N
XLogP1.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity270

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol?
The IUPAC name of (3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol (CID 9859994) is (3R,4R)-3-(4-phenylpiperidin-1-yl)piperidin-4-ol.
What is the SMILES notation for (3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol?
The canonical SMILES for (3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol is C1CNC[C@H]([C@@H]1O)N2CCC(CC2)C3=CC=CC=C3.
What is the InChIKey of (3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol?
The InChIKey is XUPDJGDKEAPXHU-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H24N2O/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/t15-,16-/m1/s1.
What are the key properties of (3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol?
(3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol has a molecular weight of 260.37 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3''R,4''R)-4-Phenyl-[1,3'']bipiperidinyl-4''-ol is sourced from PubChem (CID 9859994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).