1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol

C20H24BrNO — CID 15048608

IUPAC1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol
SMILESOC(Cc1cccc(Br)c1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H24BrNO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2
InChIKeyANCSSFCYCYJZLW-UHFFFAOYSA-N
MW374.32 g/mol
LogP4.23
Rot. Bonds5

About 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol

1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol (PubChem CID 15048608) has the molecular formula C20H24BrNO and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol
PubChem CID15048608
Molecular FormulaC20H24BrNO
Molecular Weight374.32 g/mol
Exact Mass373.10
IUPAC Name1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol
SMILESOC(Cc1cccc(Br)c1)CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H24BrNO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2
InChIKeyANCSSFCYCYJZLW-UHFFFAOYSA-N
XLogP4.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol (CID 15048608) is 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol is OC(Cc1cccc(Br)c1)CN1CCC(c2ccccc2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol?
The InChIKey is ANCSSFCYCYJZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO/c21-19-8-4-5-16(13-19)14-20(23)15-22-11-9-18(10-12-22)17-6-2-1-3-7-17/h1-8,13,18,20,23H,9-12,14-15H2.
What are the key properties of 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol?
1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol has a molecular weight of 374.32 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-phenylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 15048608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).