1-(2-methylbutyl)-4-(3-methylpentyl)piperidine

C16H33N — CID 166678927

IUPAC1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
SMILESCCC(C)CCC1CCN(CC(C)CC)CC1
InChIInChI=1S/C16H33N/c1-5-14(3)7-8-16-9-11-17(12-10-16)13-15(4)6-2/h14-16H,5-13H2,1-4H3
InChIKeyVITITAIYRVTAFP-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.57
Rot. Bonds7

About 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine

1-(2-methylbutyl)-4-(3-methylpentyl)piperidine (PubChem CID 166678927) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine.

Molecular Properties

Compound Name1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
PubChem CID166678927
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
SMILESCCC(C)CCC1CCN(CC(C)CC)CC1
InChIInChI=1S/C16H33N/c1-5-14(3)7-8-16-9-11-17(12-10-16)13-15(4)6-2/h14-16H,5-13H2,1-4H3
InChIKeyVITITAIYRVTAFP-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methylpentylcyclopropane
CID 56979389
4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine
CID 167107327
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
CID 106838267
1-(2-methylbutyl)azocan-5-amine
CID 138578354
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
1-butan-2-yl-4-[(2R)-2-methyl-4-(4-pentan-2-yloxycyclohexyl)butyl]piperazine
CID 175628957
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958
3-chloro-4-methyl-1-(2-methylbutyl)piperidine
CID 102959883
1-ethyl-4-[(2S)-2-methyl-4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372630

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine?
The IUPAC name of 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine (CID 166678927) is 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine.
What is the SMILES notation for 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine?
The canonical SMILES for 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine is CCC(C)CCC1CCN(CC(C)CC)CC1.
What is the InChIKey of 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine?
The InChIKey is VITITAIYRVTAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-5-14(3)7-8-16-9-11-17(12-10-16)13-15(4)6-2/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine?
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine has a molecular weight of 239.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-4-(3-methylpentyl)piperidine is sourced from PubChem (CID 166678927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).