(4-hexylpiperidin-1-yl)-diphenylphosphane

C23H32NP — CID 59090045

IUPAC(4-hexylpiperidin-1-yl)-diphenylphosphane
SMILESCCCCCCC1CCN(P(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H32NP/c1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23/h5-6,8-11,13-16,21H,2-4,7,12,17-20H2,1H3
InChIKeyZTYXYYNJIKDZPM-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.72
Rot. Bonds8

About (4-hexylpiperidin-1-yl)-diphenylphosphane

(4-hexylpiperidin-1-yl)-diphenylphosphane (PubChem CID 59090045) has the molecular formula C23H32NP and a molecular weight of 353.49 g/mol. Its IUPAC name is (4-hexylpiperidin-1-yl)-diphenylphosphane.

Molecular Properties

Compound Name(4-hexylpiperidin-1-yl)-diphenylphosphane
PubChem CID59090045
Molecular FormulaC23H32NP
Molecular Weight353.49 g/mol
Exact Mass353.23
IUPAC Name(4-hexylpiperidin-1-yl)-diphenylphosphane
SMILESCCCCCCC1CCN(P(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H32NP/c1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23/h5-6,8-11,13-16,21H,2-4,7,12,17-20H2,1H3
InChIKeyZTYXYYNJIKDZPM-UHFFFAOYSA-N
XLogP5.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydryl-4-octylpiperidine;hydrobromide
CID 54609247
4-hexyl-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 23381499
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
4-(4-decylpiperidin-1-yl)benzoic acid
CID 86127158
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline
CID 158118284
azane;hexylcyclopropane
CID 135322230
4-pentylpiperidin-1-amine
CID 69326723
hexane;pentylcyclopropane
CID 159592467

Frequently Asked Questions

What is the IUPAC name of (4-hexylpiperidin-1-yl)-diphenylphosphane?
The IUPAC name of (4-hexylpiperidin-1-yl)-diphenylphosphane (CID 59090045) is (4-hexylpiperidin-1-yl)-diphenylphosphane.
What is the SMILES notation for (4-hexylpiperidin-1-yl)-diphenylphosphane?
The canonical SMILES for (4-hexylpiperidin-1-yl)-diphenylphosphane is CCCCCCC1CCN(P(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-hexylpiperidin-1-yl)-diphenylphosphane?
The InChIKey is ZTYXYYNJIKDZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32NP/c1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23/h5-6,8-11,13-16,21H,2-4,7,12,17-20H2,1H3.
What are the key properties of (4-hexylpiperidin-1-yl)-diphenylphosphane?
(4-hexylpiperidin-1-yl)-diphenylphosphane has a molecular weight of 353.49 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexylpiperidin-1-yl)-diphenylphosphane is sourced from PubChem (CID 59090045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).