3-(5-methyldodecan-5-yl)piperidine

C18H37N — CID 170226915

IUPAC3-(5-methyldodecan-5-yl)piperidine
SMILESCCCCCCCC(C)(CCCC)C1CCCNC1
InChIInChI=1S/C18H37N/c1-4-6-8-9-10-14-18(3,13-7-5-2)17-12-11-15-19-16-17/h17,19H,4-16H2,1-3H3
InChIKeyCITHWTOSSMDRDT-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.54
Rot. Bonds10

About 3-(5-methyldodecan-5-yl)piperidine

3-(5-methyldodecan-5-yl)piperidine (PubChem CID 170226915) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 3-(5-methyldodecan-5-yl)piperidine.

Molecular Properties

Compound Name3-(5-methyldodecan-5-yl)piperidine
PubChem CID170226915
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name3-(5-methyldodecan-5-yl)piperidine
SMILESCCCCCCCC(C)(CCCC)C1CCCNC1
InChIInChI=1S/C18H37N/c1-4-6-8-9-10-14-18(3,13-7-5-2)17-12-11-15-19-16-17/h17,19H,4-16H2,1-3H3
InChIKeyCITHWTOSSMDRDT-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(5-methyldecan-5-yl)pyrrolidine
CID 139342176
2-piperidin-3-yloctan-2-ol
CID 65146111
4-(8-methylpentadecan-8-yl)piperidine
CID 167069655
2-piperidin-3-ylpentan-2-ol
CID 63586269
3-(2-methylheptan-2-yl)pyrrolidine
CID 139502538
4-methyl-3-(7-methyltetradecan-7-yl)piperidine
CID 154952997
(3R)-3-tert-butylpiperidine
CID 59772800
3-(5-methyldodecan-5-yl)oxetane
CID 130337165
2-piperidin-3-ylbutan-2-ol
CID 63586087
3-(1,1-difluoropropyl)piperidine;hydrochloride
CID 115058466
(3S)-3-heptylpiperidine
CID 155456188
3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyldodecan-5-yl)piperidine?
The IUPAC name of 3-(5-methyldodecan-5-yl)piperidine (CID 170226915) is 3-(5-methyldodecan-5-yl)piperidine.
What is the SMILES notation for 3-(5-methyldodecan-5-yl)piperidine?
The canonical SMILES for 3-(5-methyldodecan-5-yl)piperidine is CCCCCCCC(C)(CCCC)C1CCCNC1.
What is the InChIKey of 3-(5-methyldodecan-5-yl)piperidine?
The InChIKey is CITHWTOSSMDRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-4-6-8-9-10-14-18(3,13-7-5-2)17-12-11-15-19-16-17/h17,19H,4-16H2,1-3H3.
What are the key properties of 3-(5-methyldodecan-5-yl)piperidine?
3-(5-methyldodecan-5-yl)piperidine has a molecular weight of 267.50 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyldodecan-5-yl)piperidine is sourced from PubChem (CID 170226915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).