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

C20H25ClN2O3 — CID 3039649

IUPAC1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(-c2ccc(C(O)CCN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3.ClH/c23-20(12-15-21-13-2-1-3-14-21)18-6-4-16(5-7-18)17-8-10-19(11-9-17)22(24)25;/h4-11,20,23H,1-3,12-15H2;1H
InChIKeyANRYHBJIRPYQDS-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.59
Rot. Bonds6

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

1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 3039649) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
PubChem CID3039649
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(-c2ccc(C(O)CCN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3.ClH/c23-20(12-15-21-13-2-1-3-14-21)18-6-4-16(5-7-18)17-8-10-19(11-9-17)22(24)25;/h4-11,20,23H,1-3,12-15H2;1H
InChIKeyANRYHBJIRPYQDS-UHFFFAOYSA-N
XLogP4.59
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-Benzylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 2877382
2-Morpholin-4-yl-1-(4-nitrophenyl)ethanol
CID 4061457
2-(4-Nitrophenyl)-1-phenylethanol
CID 285015
(4-Nitrophenyl)-(1-phenethylpiperidin-4-YL)methanol
CID 11824002
2-[4-(4-Nitro-phenyl)-piperidin-1-yl]-cyclohexanol
CID 15925818
7-Nitro-3-(4-phenylbutyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 145971343
7-Nitro-3-(3-phenylpropyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 145975318
7-Nitro-3-(5-phenylpentyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 145976774
1-(4-Nitrophenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 3466603
2-[Allyl-(1-methyl-3-phenyl-propyl)-amino]-1-(3-nitro-phenyl)-ethanol
CID 2853303
2-[Methyl-(1-methyl-3-phenyl-propyl)-amino]-1-(3-nitro-phenyl)-ethanol
CID 16682035
AC1NT4X9
CID 5344976

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride (CID 3039649) is 1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride is Cl.O=[N+]([O-])c1ccc(-c2ccc(C(O)CCN3CCCCC3)cc2)cc1.
What is the InChIKey of 1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is ANRYHBJIRPYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c23-20(12-15-21-13-2-1-3-14-21)18-6-4-16(5-7-18)17-8-10-19(11-9-17)22(24)25;/h4-11,20,23H,1-3,12-15H2;1H.
What are the key properties of 1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride?
1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-nitrophenyl)phenyl]-3-piperidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3039649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).