1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride

C20H25ClN2O3 — CID 3042292

IUPAC1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(C(O)CCN2CCCCC2)ccc1-c1ccccc1
InChIInChI=1S/C20H24N2O3.ClH/c23-20(11-14-21-12-5-2-6-13-21)17-9-10-18(19(15-17)22(24)25)16-7-3-1-4-8-16;/h1,3-4,7-10,15,20,23H,2,5-6,11-14H2;1H
InChIKeyQILSWTXRPTYLFG-UHFFFAOYSA-N
MW376.88 g/mol
LogP4.59
Rot. Bonds6

About 1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride

1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride (PubChem CID 3042292) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride
PubChem CID3042292
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(C(O)CCN2CCCCC2)ccc1-c1ccccc1
InChIInChI=1S/C20H24N2O3.ClH/c23-20(11-14-21-12-5-2-6-13-21)17-9-10-18(19(15-17)22(24)25)16-7-3-1-4-8-16;/h1,3-4,7-10,15,20,23H,2,5-6,11-14H2;1H
InChIKeyQILSWTXRPTYLFG-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

1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419
3-(azepan-1-yl)-1-(4-chloro-3-methylphenyl)propan-1-ol
CID 82074595
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
3-morpholin-4-yl-1-(4-phenylphenyl)propan-1-ol
CID 3039644
1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine
CID 101448759
3-(azepan-1-yl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
CID 82105523
ethylcarbamic acid;1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrobromide
CID 21153353
(1S)-1-(3-fluoro-4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70250173
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70227798
(2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol
CID 66515936
6-(1-hydroxy-3-piperidin-1-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 14751624

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride (CID 3042292) is 1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride is Cl.O=[N+]([O-])c1cc(C(O)CCN2CCCCC2)ccc1-c1ccccc1.
What is the InChIKey of 1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is QILSWTXRPTYLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c23-20(11-14-21-12-5-2-6-13-21)17-9-10-18(19(15-17)22(24)25)16-7-3-1-4-8-16;/h1,3-4,7-10,15,20,23H,2,5-6,11-14H2;1H.
What are the key properties of 1-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride?
1-(3-nitro-4-phenylphenyl)-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-(3-nitro-4-phenylphenyl)-3-piperidin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3042292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).