1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol

C28H33ClN2O — CID 10623381

IUPAC1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESNCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-22,30H2
InChIKeyMPEGRCNLPCPVSF-UHFFFAOYSA-N
MW449.04 g/mol
LogP5.35
Rot. Bonds8

About 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol

1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol (PubChem CID 10623381) has the molecular formula C28H33ClN2O and a molecular weight of 449.04 g/mol. Its IUPAC name is 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol
PubChem CID10623381
Molecular FormulaC28H33ClN2O
Molecular Weight449.04 g/mol
Exact Mass448.23
IUPAC Name1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol
SMILESNCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H33ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-22,30H2
InChIKeyMPEGRCNLPCPVSF-UHFFFAOYSA-N
XLogP5.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.04
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol (CID 10623381) is 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol is NCC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is MPEGRCNLPCPVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O/c29-26-14-12-25(13-15-26)28(32)17-20-31(21-18-28)19-7-16-27(22-30,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,32H,7,16-22,30H2.
What are the key properties of 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol?
1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 449.04 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4,4-diphenylpentyl)-4-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 10623381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).