1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride

C32H35ClNOP — CID 21117882

IUPAC1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride
SMILESCl.O=P(c1ccccc1)(c1ccccc1)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34NOP.ClH/c34-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32(28-16-6-1-7-17-28,29-18-8-2-9-19-29)24-27-33-25-14-5-15-26-33;/h1-4,6-13,16-23H,5,14-15,24-27H2;1H
InChIKeyPPDNIFALXFOOQY-UHFFFAOYSA-N
MW516.07 g/mol
LogP7.24
Rot. Bonds8

About 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride

1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride (PubChem CID 21117882) has the molecular formula C32H35ClNOP and a molecular weight of 516.07 g/mol. Its IUPAC name is 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride
PubChem CID21117882
Molecular FormulaC32H35ClNOP
Molecular Weight516.07 g/mol
Exact Mass515.21
IUPAC Name1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride
SMILESCl.O=P(c1ccccc1)(c1ccccc1)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34NOP.ClH/c34-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32(28-16-6-1-7-17-28,29-18-8-2-9-19-29)24-27-33-25-14-5-15-26-33;/h1-4,6-13,16-23H,5,14-15,24-27H2;1H
InChIKeyPPDNIFALXFOOQY-UHFFFAOYSA-N
XLogP7.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.07
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1,5-bis(2-diphenylphosphorylethyl)-1,5-diazocane
CID 12983468
2-ethyl-2-phenyl-4-piperidin-1-ylbutanamide
CID 18110
1-(3,3-diphenyl-3-propoxypropyl)piperidine
CID 163484740
2,2-diphenyl-5-piperidin-1-ylpentan-1-amine
CID 22767303
2-(ethylamino)-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 116692329
1-(2,3,4,5,6-pentadeuteriophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol
CID 163322578
2-(2-ethylphenyl)-2-phenyl-4-piperidin-1-ylbutanoic acid
CID 70474069
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 24842565
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192

Frequently Asked Questions

What is the IUPAC name of 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride?
The IUPAC name of 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride (CID 21117882) is 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride?
The canonical SMILES for 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride is Cl.O=P(c1ccccc1)(c1ccccc1)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride?
The InChIKey is PPDNIFALXFOOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34NOP.ClH/c34-35(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32(28-16-6-1-7-17-28,29-18-8-2-9-19-29)24-27-33-25-14-5-15-26-33;/h1-4,6-13,16-23H,5,14-15,24-27H2;1H.
What are the key properties of 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride?
1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride has a molecular weight of 516.07 g/mol, XLogP of 7.24, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-diphenylphosphoryl-3,3-diphenylpropyl)piperidine;hydrochloride is sourced from PubChem (CID 21117882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).