4-heptylpiperidine;methane

C13H29N — CID 144690559

IUPAC4-heptylpiperidine;methane
SMILESC.CCCCCCCC1CCNCC1
InChIInChI=1S/C12H25N.CH4/c1-2-3-4-5-6-7-12-8-10-13-11-9-12;/h12-13H,2-11H2,1H3;1H4
InChIKeyGRSVPZAMJOQJKR-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds6

About 4-heptylpiperidine;methane

4-heptylpiperidine;methane (PubChem CID 144690559) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 4-heptylpiperidine;methane.

Molecular Properties

Compound Name4-heptylpiperidine;methane
PubChem CID144690559
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name4-heptylpiperidine;methane
SMILESC.CCCCCCCC1CCNCC1
InChIInChI=1S/C12H25N.CH4/c1-2-3-4-5-6-7-12-8-10-13-11-9-12;/h12-13H,2-11H2,1H3;1H4
InChIKeyGRSVPZAMJOQJKR-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
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

4-hexadecylpiperidine
CID 54096875
4-pentylazecane
CID 166829392
(3S)-3-pentylpyrrolidine
CID 10261191
4-butylpiperidine;formonitrile
CID 142168007
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
azane;hexylcyclopropane
CID 135322230
15-hexadecyl-1,4,7,10,13-pentazacyclohexadecane
CID 14178837
hexane;pentylcyclopropane
CID 159592467
4-butylpiperidine;isocyanic acid
CID 175010642

Frequently Asked Questions

What is the IUPAC name of 4-heptylpiperidine;methane?
The IUPAC name of 4-heptylpiperidine;methane (CID 144690559) is 4-heptylpiperidine;methane.
What is the SMILES notation for 4-heptylpiperidine;methane?
The canonical SMILES for 4-heptylpiperidine;methane is C.CCCCCCCC1CCNCC1.
What is the InChIKey of 4-heptylpiperidine;methane?
The InChIKey is GRSVPZAMJOQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.CH4/c1-2-3-4-5-6-7-12-8-10-13-11-9-12;/h12-13H,2-11H2,1H3;1H4.
What are the key properties of 4-heptylpiperidine;methane?
4-heptylpiperidine;methane has a molecular weight of 199.38 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptylpiperidine;methane is sourced from PubChem (CID 144690559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).