[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol

C27H30ClNO2 — CID 44907120

IUPAC[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H30ClNO2/c28-25-12-14-26(15-13-25)31-21-7-18-29-19-16-24(17-20-29)27(30,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-15,24,30H,7,16-21H2
InChIKeyZNPOXTWCYGKAHQ-UHFFFAOYSA-N
MW436.00 g/mol
LogP5.76
Rot. Bonds8

About [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol

[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol (PubChem CID 44907120) has the molecular formula C27H30ClNO2 and a molecular weight of 436.00 g/mol. Its IUPAC name is [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol.

Molecular Properties

Compound Name[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
PubChem CID44907120
Molecular FormulaC27H30ClNO2
Molecular Weight436.00 g/mol
Exact Mass435.20
IUPAC Name[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
SMILESOC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H30ClNO2/c28-25-12-14-26(15-13-25)31-21-7-18-29-19-16-24(17-20-29)27(30,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-15,24,30H,7,16-21H2
InChIKeyZNPOXTWCYGKAHQ-UHFFFAOYSA-N
XLogP5.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.00
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol?
The IUPAC name of [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol (CID 44907120) is [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol.
What is the SMILES notation for [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol?
The canonical SMILES for [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol is OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol?
The InChIKey is ZNPOXTWCYGKAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClNO2/c28-25-12-14-26(15-13-25)31-21-7-18-29-19-16-24(17-20-29)27(30,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-15,24,30H,7,16-21H2.
What are the key properties of [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol?
[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol has a molecular weight of 436.00 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol is sourced from PubChem (CID 44907120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).