4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol

C20H21BrN2O — CID 30982708

IUPAC4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21BrN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
InChIKeyOILMYNCOJBGIHH-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.41
Rot. Bonds3

About 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol

4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol (PubChem CID 30982708) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
PubChem CID30982708
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC Name4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H21BrN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
InChIKeyOILMYNCOJBGIHH-UHFFFAOYSA-N
XLogP4.41
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol (CID 30982708) is 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol is OC1(c2ccc(Br)cc2)CCN(Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol?
The InChIKey is OILMYNCOJBGIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2.
What are the key properties of 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol?
4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol has a molecular weight of 385.31 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 30982708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).