1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride

C26H30ClNO3 — CID 6918489

IUPAC1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride
SMILESCl.OC(COc1ccccc1)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C26H29NO3.ClH/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25;/h1-14,22-23,28H,15-20H2;1H
InChIKeyKEFVDILVJNKTNY-UHFFFAOYSA-N
MW439.98 g/mol
LogP5.52
Rot. Bonds8

About 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride

1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride (PubChem CID 6918489) has the molecular formula C26H30ClNO3 and a molecular weight of 439.98 g/mol. Its IUPAC name is 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride
PubChem CID6918489
Molecular FormulaC26H30ClNO3
Molecular Weight439.98 g/mol
Exact Mass439.19
IUPAC Name1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride
SMILESCl.OC(COc1ccccc1)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C26H29NO3.ClH/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25;/h1-14,22-23,28H,15-20H2;1H
InChIKeyKEFVDILVJNKTNY-UHFFFAOYSA-N
XLogP5.52
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.98
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride?
The IUPAC name of 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride (CID 6918489) is 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride?
The canonical SMILES for 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride is Cl.OC(COc1ccccc1)CN1CCC(c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride?
The InChIKey is KEFVDILVJNKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3.ClH/c28-23(20-29-24-7-3-1-4-8-24)19-27-17-15-22(16-18-27)21-11-13-26(14-12-21)30-25-9-5-2-6-10-25;/h1-14,22-23,28H,15-20H2;1H.
What are the key properties of 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride?
1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride has a molecular weight of 439.98 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-2-ol;hydrochloride is sourced from PubChem (CID 6918489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).