1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine

C18H35NO2 — CID 123958631

IUPAC1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine
SMILESCC1CCN(CCCCCCCCCC2OCCO2)CC1
InChIInChI=1S/C18H35NO2/c1-17-10-13-19(14-11-17)12-8-6-4-2-3-5-7-9-18-20-15-16-21-18/h17-18H,2-16H2,1H3
InChIKeyOBFJHSWIUAQLON-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.21
Rot. Bonds10

About 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine

1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine (PubChem CID 123958631) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine
PubChem CID123958631
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Name1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine
SMILESCC1CCN(CCCCCCCCCC2OCCO2)CC1
InChIInChI=1S/C18H35NO2/c1-17-10-13-19(14-11-17)12-8-6-4-2-3-5-7-9-18-20-15-16-21-18/h17-18H,2-16H2,1H3
InChIKeyOBFJHSWIUAQLON-UHFFFAOYSA-N
XLogP4.21
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.21
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-[5-(1,3-dioxolan-2-yl)pentyl]piperidine
CID 141349469
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
4-(4-methylazepan-1-yl)butan-1-ol
CID 63214962
2-[5-(4-methylpiperidin-1-yl)pentoxy]acetic acid
CID 163629544
2-[2-(4-methylpiperidin-1-yl)ethyl]morpholine
CID 66428554
3-(4-methylpiperidin-1-yl)-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386835
1-[(Z,4Z)-4-ethylidenehept-5-enyl]-4-methylpiperidine
CID 143745628
1-[2-(1,3-dioxan-2-yl)ethyl]-4-methoxypiperidine
CID 66473510
3-(4-methylpiperidin-1-yl)propane-1-sulfonic acid
CID 167111831
2-amino-2-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 61265469
1-[9-[4-(4-methylpiperidin-1-yl)butyl]-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 174255098
4-methyl-1-[[(2R)-oxiran-2-yl]methyl]piperidine
CID 40505250

Frequently Asked Questions

What is the IUPAC name of 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine?
The IUPAC name of 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine (CID 123958631) is 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine.
What is the SMILES notation for 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine?
The canonical SMILES for 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine is CC1CCN(CCCCCCCCCC2OCCO2)CC1.
What is the InChIKey of 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine?
The InChIKey is OBFJHSWIUAQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-17-10-13-19(14-11-17)12-8-6-4-2-3-5-7-9-18-20-15-16-21-18/h17-18H,2-16H2,1H3.
What are the key properties of 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine?
1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine has a molecular weight of 297.48 g/mol, XLogP of 4.21, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(1,3-dioxolan-2-yl)nonyl]-4-methylpiperidine is sourced from PubChem (CID 123958631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).