1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride

C20H27ClN2O — CID 3039657

IUPAC1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.Nc1ccc(-c2ccc(C(O)CCN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H26N2O.ClH/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22;/h4-11,20,23H,1-3,12-15,21H2;1H
InChIKeyGUBUOLNFPAUHEP-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.27
Rot. Bonds5

About 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride

1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 3039657) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
PubChem CID3039657
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.Nc1ccc(-c2ccc(C(O)CCN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H26N2O.ClH/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22;/h4-11,20,23H,1-3,12-15,21H2;1H
InChIKeyGUBUOLNFPAUHEP-UHFFFAOYSA-N
XLogP4.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride (CID 3039657) is 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride is Cl.Nc1ccc(-c2ccc(C(O)CCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is GUBUOLNFPAUHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c21-19-10-8-17(9-11-19)16-4-6-18(7-5-16)20(23)12-15-22-13-2-1-3-14-22;/h4-11,20,23H,1-3,12-15,21H2;1H.
What are the key properties of 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-aminophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3039657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).