1-decyl-4-propan-2-ylpiperidine

C18H37N — CID 166461232

IUPAC1-decyl-4-propan-2-ylpiperidine
SMILESCCCCCCCCCCN1CCC(C(C)C)CC1
InChIInChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-14-19-15-12-18(13-16-19)17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyXTQCSRNURXFMGD-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.50
Rot. Bonds10

About 1-decyl-4-propan-2-ylpiperidine

1-decyl-4-propan-2-ylpiperidine (PubChem CID 166461232) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 1-decyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-decyl-4-propan-2-ylpiperidine
PubChem CID166461232
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name1-decyl-4-propan-2-ylpiperidine
SMILESCCCCCCCCCCN1CCC(C(C)C)CC1
InChIInChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-14-19-15-12-18(13-16-19)17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyXTQCSRNURXFMGD-UHFFFAOYSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1-heptylpiperidin-4-yl)ethanol
CID 103688705
1-(1-hexylpiperidin-4-yl)ethanamine
CID 63595820
4-(1-bromoethyl)-1-heptylpiperidine
CID 106838196
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
1-(6-chlorohexyl)-4-propan-2-ylpiperidine
CID 103501532
5-(4-propan-2-ylpiperidin-1-yl)pentane-1-thiol
CID 103504387
4-fluoro-1-octylpiperidine
CID 130358850
N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]pentan-1-amine
CID 103503529
7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-propan-2-ylpiperidine?
The IUPAC name of 1-decyl-4-propan-2-ylpiperidine (CID 166461232) is 1-decyl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-decyl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-decyl-4-propan-2-ylpiperidine is CCCCCCCCCCN1CCC(C(C)C)CC1.
What is the InChIKey of 1-decyl-4-propan-2-ylpiperidine?
The InChIKey is XTQCSRNURXFMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-5-6-7-8-9-10-11-14-19-15-12-18(13-16-19)17(2)3/h17-18H,4-16H2,1-3H3.
What are the key properties of 1-decyl-4-propan-2-ylpiperidine?
1-decyl-4-propan-2-ylpiperidine has a molecular weight of 267.50 g/mol, XLogP of 5.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 166461232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).