[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

C27H38N2O3 — CID 20624951

IUPAC[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCO)CC1
InChIInChI=1S/C27H38N2O3/c30-22-12-5-3-1-2-4-11-19-29-20-17-24(18-21-29)32-27(31)28-26-16-10-9-15-25(26)23-13-7-6-8-14-23/h6-10,13-16,24,30H,1-5,11-12,17-22H2,(H,28,31)
InChIKeyCTZHXMGVPAASLI-UHFFFAOYSA-N
MW438.61 g/mol
LogP6.09
Rot. Bonds12

About [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 20624951) has the molecular formula C27H38N2O3 and a molecular weight of 438.61 g/mol. Its IUPAC name is [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID20624951
Molecular FormulaC27H38N2O3
Molecular Weight438.61 g/mol
Exact Mass438.29
IUPAC Name[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCO)CC1
InChIInChI=1S/C27H38N2O3/c30-22-12-5-3-1-2-4-11-19-29-20-17-24(18-21-29)32-27(31)28-26-16-10-9-15-25(26)23-13-7-6-8-14-23/h6-10,13-16,24,30H,1-5,11-12,17-22H2,(H,28,31)
InChIKeyCTZHXMGVPAASLI-UHFFFAOYSA-N
XLogP6.09
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
(1-butylpiperidin-4-yl) N-(2-phenylphenyl)carbamate;ethane;nonane
CID 158840532
[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 59838143
methyl 3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propanoate
CID 57459436
[1-[7-[ethyl(methyl)amino]heptyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624927
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 89290632
[1-[2-[benzhydryl(methyl)amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624858
[1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624887
(1-phosphanylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 143572443
4-(1,3-dioxoisoindol-2-yl)butyl-dimethyl-[3-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]propyl]azanium
CID 20625160
cyclohexylmethyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium
CID 20625286

Frequently Asked Questions

What is the IUPAC name of [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 20624951) is [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCCCCCCCCO)CC1.
What is the InChIKey of [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is CTZHXMGVPAASLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O3/c30-22-12-5-3-1-2-4-11-19-29-20-17-24(18-21-29)32-27(31)28-26-16-10-9-15-25(26)23-13-7-6-8-14-23/h6-10,13-16,24,30H,1-5,11-12,17-22H2,(H,28,31).
What are the key properties of [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 438.61 g/mol, XLogP of 6.09, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 20624951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).