(2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol

C20H23Cl2NO — CID 52945159

IUPAC(2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol
SMILESOC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H23Cl2NO/c21-18-10-9-16(12-19(18)22)17(14-24)20-8-4-5-11-23(20)13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17,20,24H,4-5,8,11,13-14H2/t17-,20-/m1/s1
InChIKeyNRJOAYKSGZHTCR-YLJYHZDGSA-N
MW364.32 g/mol
LogP5.12
Rot. Bonds5

About (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol

(2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol (PubChem CID 52945159) has the molecular formula C20H23Cl2NO and a molecular weight of 364.32 g/mol. Its IUPAC name is (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol
PubChem CID52945159
Molecular FormulaC20H23Cl2NO
Molecular Weight364.32 g/mol
Exact Mass363.12
IUPAC Name(2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol
SMILESOC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1Cc1ccccc1
InChIInChI=1S/C20H23Cl2NO/c21-18-10-9-16(12-19(18)22)17(14-24)20-8-4-5-11-23(20)13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17,20,24H,4-5,8,11,13-14H2/t17-,20-/m1/s1
InChIKeyNRJOAYKSGZHTCR-YLJYHZDGSA-N
XLogP5.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.32
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol (CID 52945159) is (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol is OC[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1Cc1ccccc1.
What is the InChIKey of (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is NRJOAYKSGZHTCR-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H23Cl2NO/c21-18-10-9-16(12-19(18)22)17(14-24)20-8-4-5-11-23(20)13-15-6-2-1-3-7-15/h1-3,6-7,9-10,12,17,20,24H,4-5,8,11,13-14H2/t17-,20-/m1/s1.
What are the key properties of (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol?
(2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 364.32 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-1-benzylpiperidin-2-yl]-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 52945159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).