3-methyl-4-(4-methylpentyl)piperidine

C12H25N — CID 106781094

IUPAC3-methyl-4-(4-methylpentyl)piperidine
SMILESCC(C)CCCC1CCNCC1C
InChIInChI=1S/C12H25N/c1-10(2)5-4-6-12-7-8-13-9-11(12)3/h10-13H,4-9H2,1-3H3
InChIKeyVKUHBOXYLNIBOX-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds4

About 3-methyl-4-(4-methylpentyl)piperidine

3-methyl-4-(4-methylpentyl)piperidine (PubChem CID 106781094) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-methyl-4-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name3-methyl-4-(4-methylpentyl)piperidine
PubChem CID106781094
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-methyl-4-(4-methylpentyl)piperidine
SMILESCC(C)CCCC1CCNCC1C
InChIInChI=1S/C12H25N/c1-10(2)5-4-6-12-7-8-13-9-11(12)3/h10-13H,4-9H2,1-3H3
InChIKeyVKUHBOXYLNIBOX-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
(3R)-3-(4-methylpentoxy)pyrrolidine
CID 115460364
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691
4-methyl-N-(2-pyrrolidin-3-ylethyl)pentan-1-amine
CID 115210839
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
CID 114700132
5-methyl-N-(3-pyrrolidin-3-ylpropyl)hexan-1-amine
CID 115326036
3-methylpiperidin-4-amine;dihydrochloride
CID 155921065
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
3-methyl-4-propan-2-ylpiperidine
CID 58394699
1,3-dimethyl-2-(4-methylpentyl)cyclobutane
CID 123570825

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methylpentyl)piperidine?
The IUPAC name of 3-methyl-4-(4-methylpentyl)piperidine (CID 106781094) is 3-methyl-4-(4-methylpentyl)piperidine.
What is the SMILES notation for 3-methyl-4-(4-methylpentyl)piperidine?
The canonical SMILES for 3-methyl-4-(4-methylpentyl)piperidine is CC(C)CCCC1CCNCC1C.
What is the InChIKey of 3-methyl-4-(4-methylpentyl)piperidine?
The InChIKey is VKUHBOXYLNIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-10(2)5-4-6-12-7-8-13-9-11(12)3/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-methyl-4-(4-methylpentyl)piperidine?
3-methyl-4-(4-methylpentyl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methylpentyl)piperidine is sourced from PubChem (CID 106781094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).