methane;1-octan-4-ylpiperidine

C14H31N — CID 143122058

IUPACmethane;1-octan-4-ylpiperidine
SMILESC.CCCCC(CCC)N1CCCCC1
InChIInChI=1S/C13H27N.CH4/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14;/h13H,3-12H2,1-2H3;1H4
InChIKeyJNXOSFVTBBKAMW-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.47
Rot. Bonds6

About methane;1-octan-4-ylpiperidine

methane;1-octan-4-ylpiperidine (PubChem CID 143122058) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is methane;1-octan-4-ylpiperidine.

Molecular Properties

Compound Namemethane;1-octan-4-ylpiperidine
PubChem CID143122058
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Namemethane;1-octan-4-ylpiperidine
SMILESC.CCCCC(CCC)N1CCCCC1
InChIInChI=1S/C13H27N.CH4/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14;/h13H,3-12H2,1-2H3;1H4
InChIKeyJNXOSFVTBBKAMW-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-octan-4-ylazonane
CID 123427772
1-[(4R)-octan-4-yl]azetidine
CID 170061956
1-decan-4-ylpiperidine
CID 142178259
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-[5,9-bis(azacyclododec-1-yl)-1-[4-(azacyclododec-1-yl)heptyl]nonyl]-azacyclododecane
CID 174384142
1-octadecan-4-ylaziridine
CID 87223215
1-heptan-3-ylazetidine
CID 172721722
1-decan-3-ylpiperidine
CID 68984931
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
2-(azocan-1-yl)nonan-1-amine
CID 43130470

Frequently Asked Questions

What is the IUPAC name of methane;1-octan-4-ylpiperidine?
The IUPAC name of methane;1-octan-4-ylpiperidine (CID 143122058) is methane;1-octan-4-ylpiperidine.
What is the SMILES notation for methane;1-octan-4-ylpiperidine?
The canonical SMILES for methane;1-octan-4-ylpiperidine is C.CCCCC(CCC)N1CCCCC1.
What is the InChIKey of methane;1-octan-4-ylpiperidine?
The InChIKey is JNXOSFVTBBKAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.CH4/c1-3-5-10-13(9-4-2)14-11-7-6-8-12-14;/h13H,3-12H2,1-2H3;1H4.
What are the key properties of methane;1-octan-4-ylpiperidine?
methane;1-octan-4-ylpiperidine has a molecular weight of 213.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-octan-4-ylpiperidine is sourced from PubChem (CID 143122058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).