1-undecan-5-ylpiperidine

C16H33N — CID 174506253

IUPAC1-undecan-5-ylpiperidine
SMILESCCCCCCC(CCCC)N1CCCCC1
InChIInChI=1S/C16H33N/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h16H,3-15H2,1-2H3
InChIKeyITWYBWZMDBOKMD-UHFFFAOYSA-N
MW239.45 g/mol
LogP5.00
Rot. Bonds9

About 1-undecan-5-ylpiperidine

1-undecan-5-ylpiperidine (PubChem CID 174506253) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-undecan-5-ylpiperidine.

Molecular Properties

Compound Name1-undecan-5-ylpiperidine
PubChem CID174506253
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-undecan-5-ylpiperidine
SMILESCCCCCCC(CCCC)N1CCCCC1
InChIInChI=1S/C16H33N/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h16H,3-15H2,1-2H3
InChIKeyITWYBWZMDBOKMD-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.00
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-hexadecan-5-ylpiperidine
CID 175488405
1-decan-4-ylpiperidine
CID 142178259
1-decan-3-ylpiperidine
CID 68984931
1-octan-4-ylazonane
CID 123427772
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
methane;1-octan-4-ylpiperidine
CID 143122058
2-(azocan-1-yl)nonan-1-amine
CID 43130470
1-(1-iodononan-2-yl)pyrrolidine
CID 69028048
1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-octadecan-4-ylaziridine
CID 87223215
3-piperidin-1-ylnonanoic acid
CID 64527594

Frequently Asked Questions

What is the IUPAC name of 1-undecan-5-ylpiperidine?
The IUPAC name of 1-undecan-5-ylpiperidine (CID 174506253) is 1-undecan-5-ylpiperidine.
What is the SMILES notation for 1-undecan-5-ylpiperidine?
The canonical SMILES for 1-undecan-5-ylpiperidine is CCCCCCC(CCCC)N1CCCCC1.
What is the InChIKey of 1-undecan-5-ylpiperidine?
The InChIKey is ITWYBWZMDBOKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h16H,3-15H2,1-2H3.
What are the key properties of 1-undecan-5-ylpiperidine?
1-undecan-5-ylpiperidine has a molecular weight of 239.45 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undecan-5-ylpiperidine is sourced from PubChem (CID 174506253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).