2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine

C13H25N — CID 130601832

IUPAC2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine
SMILESCCC1(CC2CCC(C)CN2)CCC1
InChIInChI=1S/C13H25N/c1-3-13(7-4-8-13)9-12-6-5-11(2)10-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyZTJPPDGKDIJWCL-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds3

About 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine

2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine (PubChem CID 130601832) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine.

Molecular Properties

Compound Name2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine
PubChem CID130601832
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine
SMILESCCC1(CC2CCC(C)CN2)CCC1
InChIInChI=1S/C13H25N/c1-3-13(7-4-8-13)9-12-6-5-11(2)10-14-12/h11-12,14H,3-10H2,1-2H3
InChIKeyZTJPPDGKDIJWCL-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-heptyl-5-methylpiperidine
CID 106778362
2-hexyl-5-methylpiperidine
CID 106778394
N-methyl-1-(5-methylpiperidin-2-yl)methanamine
CID 89022533
5-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010596
ethyl 2-[(2S,5S)-5-methylpiperidin-2-yl]acetate
CID 129410961
1,1-diethyl-3-methylcyclohexane
CID 19090157
5-methyl-2-(2-methylpentyl)piperidine
CID 106778659
5-methyl-2-(3-methylpentyl)piperidine
CID 112556928
2-[(4-ethylphenyl)methyl]-5-methylpiperidine
CID 81319513
1-ethyl-1-propylcyclobutane
CID 58586108
2,5-diethyl-1-[(1-ethylcyclobutyl)methyl]piperazine
CID 114109470
(2R,5S)-5-methyl-2-(1-methylcyclopropyl)piperidine
CID 169115095

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine?
The IUPAC name of 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine (CID 130601832) is 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine.
What is the SMILES notation for 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine?
The canonical SMILES for 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine is CCC1(CC2CCC(C)CN2)CCC1.
What is the InChIKey of 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine?
The InChIKey is ZTJPPDGKDIJWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-13(7-4-8-13)9-12-6-5-11(2)10-14-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine?
2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylcyclobutyl)methyl]-5-methylpiperidine is sourced from PubChem (CID 130601832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).