1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine

C21H43NO2 — CID 154992758

IUPAC1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine
SMILESCC(C)CCCN1CCC(CCOCCCCCOC(C)C)CC1
InChIInChI=1S/C21H43NO2/c1-19(2)9-8-13-22-14-10-21(11-15-22)12-18-23-16-6-5-7-17-24-20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyPIOREKMXDMMHQW-UHFFFAOYSA-N
MW341.58 g/mol
LogP5.14
Rot. Bonds14

About 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine

1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine (PubChem CID 154992758) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine
PubChem CID154992758
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine
SMILESCC(C)CCCN1CCC(CCOCCCCCOC(C)C)CC1
InChIInChI=1S/C21H43NO2/c1-19(2)9-8-13-22-14-10-21(11-15-22)12-18-23-16-6-5-7-17-24-20(3)4/h19-21H,5-18H2,1-4H3
InChIKeyPIOREKMXDMMHQW-UHFFFAOYSA-N
XLogP5.14
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080
4-[2-(4-ethylphenoxy)ethyl]-1-(4-methylpentyl)piperidine
CID 146312573
1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
1-methyl-4-[[1-(4-methylpentyl)piperidin-4-yl]methyl]piperidine
CID 177247678
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
CID 138647980

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine?
The IUPAC name of 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine (CID 154992758) is 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine.
What is the SMILES notation for 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine?
The canonical SMILES for 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine is CC(C)CCCN1CCC(CCOCCCCCOC(C)C)CC1.
What is the InChIKey of 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine?
The InChIKey is PIOREKMXDMMHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-19(2)9-8-13-22-14-10-21(11-15-22)12-18-23-16-6-5-7-17-24-20(3)4/h19-21H,5-18H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine?
1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine has a molecular weight of 341.58 g/mol, XLogP of 5.14, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine is sourced from PubChem (CID 154992758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).