[(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate

C24H47NO4 — CID 125470450

IUPAC[(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate
SMILESCCCCCCCCCCCC[C@H](CCO)OC(=O)OCCCN1CCCCC1
InChIInChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-12-16-23(17-21-26)29-24(27)28-22-15-20-25-18-13-11-14-19-25/h23,26H,2-22H2,1H3/t23-/m1/s1
InChIKeyJNMDKEMIIFXMNA-HSZRJFAPSA-N
MW413.64 g/mol
LogP6.08
Rot. Bonds18

About [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate

[(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate (PubChem CID 125470450) has the molecular formula C24H47NO4 and a molecular weight of 413.64 g/mol. Its IUPAC name is [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate.

Molecular Properties

Compound Name[(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate
PubChem CID125470450
Molecular FormulaC24H47NO4
Molecular Weight413.64 g/mol
Exact Mass413.35
IUPAC Name[(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate
SMILESCCCCCCCCCCCC[C@H](CCO)OC(=O)OCCCN1CCCCC1
InChIInChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-12-16-23(17-21-26)29-24(27)28-22-15-20-25-18-13-11-14-19-25/h23,26H,2-22H2,1H3/t23-/m1/s1
InChIKeyJNMDKEMIIFXMNA-HSZRJFAPSA-N
XLogP6.08
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.64
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-O-heptadecan-9-yl 1-O-[2-[(8-heptadecan-9-yloxy-8-oxooctanoyl)oxymethyl]-3-(3-pyrrolidin-1-ylpropoxycarbonyloxy)propyl] octanedioate
CID 162764275
6,26-dipentylhentriacontan-16-yl 4-pyrrolidin-1-ylbutanoate
CID 144641665
3-(dimethylamino)propyl [(4R)-1-hydroxyhexadecan-4-yl] carbonate
CID 125470560
4-(4-pyrrolidin-1-ylbutanoyloxy)dodecanoic acid
CID 167542214
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
8-heptoxycarbonyloxyoctyl-(2-hydroxyethyl)-(8-octadecan-7-yloxycarbonyloxyoctyl)azanium
CID 176758931
8-O-heptadecan-9-yl 1-O-[2-[(8-heptadecan-9-yloxy-8-oxooctanoyl)oxymethyl]-3-[3-(4-methylpiperazin-1-yl)propoxycarbonyloxy]propyl] octanedioate
CID 162764437
bis(4-butyldecyl) 10-(4-piperidin-1-ylbutoxy)nonadecanedioate
CID 118403633
butyl (4S)-4-(2-pyrrolidin-1-ylethylcarbamoyloxy)decanoate
CID 164737796
bis(1-hydroxydecan-4-yl) carbonate
CID 170358619
bis(3-pentyloct-2-enyl) 11-(4-piperidin-1-ylbutanoyloxy)henicosanedioate
CID 164730047
[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl] 5-piperidin-1-ylpentanoate
CID 172949810

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate?
The IUPAC name of [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate (CID 125470450) is [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate.
What is the SMILES notation for [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate?
The canonical SMILES for [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate is CCCCCCCCCCCC[C@H](CCO)OC(=O)OCCCN1CCCCC1.
What is the InChIKey of [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate?
The InChIKey is JNMDKEMIIFXMNA-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H47NO4/c1-2-3-4-5-6-7-8-9-10-12-16-23(17-21-26)29-24(27)28-22-15-20-25-18-13-11-14-19-25/h23,26H,2-22H2,1H3/t23-/m1/s1.
What are the key properties of [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate?
[(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate has a molecular weight of 413.64 g/mol, XLogP of 6.08, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-hydroxypentadecan-3-yl] 3-piperidin-1-ylpropyl carbonate is sourced from PubChem (CID 125470450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).