(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride

C18H21Cl2NO — CID 3064309

IUPAC(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride
SMILESCl.OC(c1ccccc1)(c1ccc(Cl)cc1)C1CCCCN1
InChIInChI=1S/C18H20ClNO.ClH/c19-16-11-9-15(10-12-16)18(21,14-6-2-1-3-7-14)17-8-4-5-13-20-17;/h1-3,6-7,9-12,17,20-21H,4-5,8,13H2;1H
InChIKeyCEGCTCMBZKFOQX-UHFFFAOYSA-N
MW338.28 g/mol
LogP4.14
Rot. Bonds3

About (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride

(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride (PubChem CID 3064309) has the molecular formula C18H21Cl2NO and a molecular weight of 338.28 g/mol. Its IUPAC name is (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride
PubChem CID3064309
Molecular FormulaC18H21Cl2NO
Molecular Weight338.28 g/mol
Exact Mass337.10
IUPAC Name(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride
SMILESCl.OC(c1ccccc1)(c1ccc(Cl)cc1)C1CCCCN1
InChIInChI=1S/C18H20ClNO.ClH/c19-16-11-9-15(10-12-16)18(21,14-6-2-1-3-7-14)17-8-4-5-13-20-17;/h1-3,6-7,9-12,17,20-21H,4-5,8,13H2;1H
InChIKeyCEGCTCMBZKFOQX-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride?
The IUPAC name of (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride (CID 3064309) is (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride is Cl.OC(c1ccccc1)(c1ccc(Cl)cc1)C1CCCCN1.
What is the InChIKey of (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride?
The InChIKey is CEGCTCMBZKFOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO.ClH/c19-16-11-9-15(10-12-16)18(21,14-6-2-1-3-7-14)17-8-4-5-13-20-17;/h1-3,6-7,9-12,17,20-21H,4-5,8,13H2;1H.
What are the key properties of (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride?
(4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride has a molecular weight of 338.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-phenyl-piperidin-2-ylmethanol;hydrochloride is sourced from PubChem (CID 3064309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).