Bdpc hydrochloride

C22H29BrClNO — CID 10138058

IUPAC4-(4-bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccc(Br)cc2)CCC(O)(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H28BrNO.ClH/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18;/h3-11,25H,12-17H2,1-2H3;1H
InChIKeyUOEMILZBKFSGOB-UHFFFAOYSA-N
MW438.84 g/mol
LogP5.57
Rot. Bonds5

About Bdpc hydrochloride

Bdpc hydrochloride (PubChem CID 10138058) has the molecular formula C22H29BrClNO and a molecular weight of 438.84 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound NameBdpc hydrochloride
PubChem CID10138058
Molecular FormulaC22H29BrClNO
Molecular Weight438.84 g/mol
Exact Mass437.11
IUPAC Name4-(4-bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
SMILESCN(C)C1(c2ccc(Br)cc2)CCC(O)(CCc2ccccc2)CC1.Cl
InChIInChI=1S/C22H28BrNO.ClH/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18;/h3-11,25H,12-17H2,1-2H3;1H
InChIKeyUOEMILZBKFSGOB-UHFFFAOYSA-N
XLogP5.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.84
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Bdpc hydrochloride?
The IUPAC name of Bdpc hydrochloride (CID 10138058) is 4-(4-bromophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for Bdpc hydrochloride?
The canonical SMILES for Bdpc hydrochloride is CN(C)C1(c2ccc(Br)cc2)CCC(O)(CCc2ccccc2)CC1.Cl.
What is the InChIKey of Bdpc hydrochloride?
The InChIKey is UOEMILZBKFSGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrNO.ClH/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18;/h3-11,25H,12-17H2,1-2H3;1H.
What are the key properties of Bdpc hydrochloride?
Bdpc hydrochloride has a molecular weight of 438.84 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Bdpc hydrochloride is sourced from PubChem (CID 10138058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).