4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane

C15H33N — CID 142891140

IUPAC4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane
SMILESCC.CC(C)CCCN1CCC(C)(C)CC1
InChIInChI=1S/C13H27N.C2H6/c1-12(2)6-5-9-14-10-7-13(3,4)8-11-14;1-2/h12H,5-11H2,1-4H3;1-2H3
InChIKeyLJWVGKDAHMOLBC-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.57
Rot. Bonds4

About 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane

4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane (PubChem CID 142891140) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane
PubChem CID142891140
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane
SMILESCC.CC(C)CCCN1CCC(C)(C)CC1
InChIInChI=1S/C13H27N.C2H6/c1-12(2)6-5-9-14-10-7-13(3,4)8-11-14;1-2/h12H,5-11H2,1-4H3;1-2H3
InChIKeyLJWVGKDAHMOLBC-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4,4-dimethylpiperidin-1-yl)pentan-2-amine
CID 62935849
4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
CID 102672948
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
4,4-difluoro-1-(3-methylbutyl)piperidine
CID 20811830
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
1-hydroxy-4-(4-methylpentyl)piperazine
CID 59781141
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367
1-hexyl-4,4-dimethylpiperidine
CID 18722930
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
5-(4-ethyl-4-methylpiperidin-1-yl)-N-methylpentan-2-amine
CID 63160676
2-(4,4-dimethylpiperidin-1-yl)-N-methylethanamine
CID 14979285

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane?
The IUPAC name of 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane (CID 142891140) is 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane.
What is the SMILES notation for 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane?
The canonical SMILES for 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane is CC.CC(C)CCCN1CCC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane?
The InChIKey is LJWVGKDAHMOLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N.C2H6/c1-12(2)6-5-9-14-10-7-13(3,4)8-11-14;1-2/h12H,5-11H2,1-4H3;1-2H3.
What are the key properties of 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane?
4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane has a molecular weight of 227.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane is sourced from PubChem (CID 142891140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).