diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane

C18H22NP — CID 101469589

IUPACdiphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane
SMILESc1ccc(P(C[C@@H]2CCCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H22NP/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)15-16-9-7-8-14-19-16/h1-6,10-13,16,19H,7-9,14-15H2/t16-/m0/s1
InChIKeyYRMLTIOBQYKSNM-INIZCTEOSA-N
MW283.36 g/mol
LogP3.26
Rot. Bonds4

About diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane

diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane (PubChem CID 101469589) has the molecular formula C18H22NP and a molecular weight of 283.36 g/mol. Its IUPAC name is diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane.

Molecular Properties

Compound Namediphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane
PubChem CID101469589
Molecular FormulaC18H22NP
Molecular Weight283.36 g/mol
Exact Mass283.15
IUPAC Namediphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane
SMILESc1ccc(P(C[C@@H]2CCCCN2)c2ccccc2)cc1
InChIInChI=1S/C18H22NP/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)15-16-9-7-8-14-19-16/h1-6,10-13,16,19H,7-9,14-15H2/t16-/m0/s1
InChIKeyYRMLTIOBQYKSNM-INIZCTEOSA-N
XLogP3.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichlororuthenium;3-diphenylphosphanylpropyl(diphenyl)phosphane;piperidin-2-ylmethanamine
CID 139238369
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
(2S)-2-benzyl-1,4-diazocane
CID 101486734
2-(2-phenylsulfanylethyl)azepane
CID 79223210
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
2-[(3-phenylazetidin-1-yl)methyl]piperidine
CID 79677520
2-(piperidin-2-ylmethyl)aniline
CID 84662844
2-(2-fluoro-3-phenylpropyl)piperidine
CID 105478188
(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
diphenyl-[(4-phenylphosphanylpyrrolidin-2-yl)methyl]phosphane
CID 87528571

Frequently Asked Questions

What is the IUPAC name of diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane?
The IUPAC name of diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane (CID 101469589) is diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane.
What is the SMILES notation for diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane?
The canonical SMILES for diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane is c1ccc(P(C[C@@H]2CCCCN2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane?
The InChIKey is YRMLTIOBQYKSNM-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22NP/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)15-16-9-7-8-14-19-16/h1-6,10-13,16,19H,7-9,14-15H2/t16-/m0/s1.
What are the key properties of diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane?
diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane has a molecular weight of 283.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[[(2S)-piperidin-2-yl]methyl]phosphane is sourced from PubChem (CID 101469589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).