(2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol

C20H24ClNO — CID 52942178

IUPAC(2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol
SMILESOC[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO/c21-18-10-6-7-16(13-18)14-22-12-5-4-11-20(22)19(15-23)17-8-2-1-3-9-17/h1-3,6-10,13,19-20,23H,4-5,11-12,14-15H2/t19-,20-/m1/s1
InChIKeyJHGFCWOZQNIVGW-WOJBJXKFSA-N
MW329.87 g/mol
LogP4.47
Rot. Bonds5

About (2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol

(2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol (PubChem CID 52942178) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is (2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol
PubChem CID52942178
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name(2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol
SMILESOC[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO/c21-18-10-6-7-16(13-18)14-22-12-5-4-11-20(22)19(15-23)17-8-2-1-3-9-17/h1-3,6-10,13,19-20,23H,4-5,11-12,14-15H2/t19-,20-/m1/s1
InChIKeyJHGFCWOZQNIVGW-WOJBJXKFSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.47
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-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol?
The IUPAC name of (2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol (CID 52942178) is (2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol?
The canonical SMILES for (2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol is OC[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol?
The InChIKey is JHGFCWOZQNIVGW-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H24ClNO/c21-18-10-6-7-16(13-18)14-22-12-5-4-11-20(22)19(15-23)17-8-2-1-3-9-17/h1-3,6-10,13,19-20,23H,4-5,11-12,14-15H2/t19-,20-/m1/s1.
What are the key properties of (2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol?
(2R)-2-[(2R)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol has a molecular weight of 329.87 g/mol, XLogP of 4.47, 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-[(3-chlorophenyl)methyl]piperidin-2-yl]-2-phenylethanol is sourced from PubChem (CID 52942178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).