1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol

C23H29BrN2O — CID 30983285

IUPAC1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29BrN2O/c24-21-8-6-20(7-9-21)23(27)12-16-26(17-13-23)22-10-14-25(15-11-22)18-19-4-2-1-3-5-19/h1-9,22,27H,10-18H2
InChIKeyNJDHWGMGGLCFRC-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.40
Rot. Bonds4

About 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol

1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol (PubChem CID 30983285) has the molecular formula C23H29BrN2O and a molecular weight of 429.40 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol
PubChem CID30983285
Molecular FormulaC23H29BrN2O
Molecular Weight429.40 g/mol
Exact Mass428.15
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C23H29BrN2O/c24-21-8-6-20(7-9-21)23(27)12-16-26(17-13-23)22-10-14-25(15-11-22)18-19-4-2-1-3-5-19/h1-9,22,27H,10-18H2
InChIKeyNJDHWGMGGLCFRC-UHFFFAOYSA-N
XLogP4.40
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol (CID 30983285) is 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol is OC1(c2ccc(Br)cc2)CCN(C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol?
The InChIKey is NJDHWGMGGLCFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O/c24-21-8-6-20(7-9-21)23(27)12-16-26(17-13-23)22-10-14-25(15-11-22)18-19-4-2-1-3-5-19/h1-9,22,27H,10-18H2.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol?
1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol has a molecular weight of 429.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-(4-bromophenyl)piperidin-4-ol is sourced from PubChem (CID 30983285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).