4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol

C22H23ClN2O — CID 10642702

IUPAC4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2ccn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H23ClN2O/c23-20-8-6-19(7-9-20)22(26)11-14-24(15-12-22)16-18-10-13-25(17-18)21-4-2-1-3-5-21/h1-10,13,17,26H,11-12,14-16H2
InChIKeyVDEUXXAFBFOEGY-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.61
Rot. Bonds4

About 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol (PubChem CID 10642702) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol
PubChem CID10642702
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol
SMILESOC1(c2ccc(Cl)cc2)CCN(Cc2ccn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H23ClN2O/c23-20-8-6-19(7-9-20)22(26)11-14-24(15-12-22)16-18-10-13-25(17-18)21-4-2-1-3-5-21/h1-10,13,17,26H,11-12,14-16H2
InChIKeyVDEUXXAFBFOEGY-UHFFFAOYSA-N
XLogP4.61
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol (CID 10642702) is 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol is OC1(c2ccc(Cl)cc2)CCN(Cc2ccn(-c3ccccc3)c2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol?
The InChIKey is VDEUXXAFBFOEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c23-20-8-6-19(7-9-20)22(26)11-14-24(15-12-22)16-18-10-13-25(17-18)21-4-2-1-3-5-21/h1-10,13,17,26H,11-12,14-16H2.
What are the key properties of 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol has a molecular weight of 366.89 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[(1-phenylpyrrol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 10642702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).