1-ethyl-4-(2-methylpentan-3-yl)piperidine

C13H27N — CID 170952036

IUPAC1-ethyl-4-(2-methylpentan-3-yl)piperidine
SMILESCCC(C(C)C)C1CCN(CC)CC1
InChIInChI=1S/C13H27N/c1-5-13(11(3)4)12-7-9-14(6-2)10-8-12/h11-13H,5-10H2,1-4H3
InChIKeyLXYLBZJBWNXAQO-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds4

About 1-ethyl-4-(2-methylpentan-3-yl)piperidine

1-ethyl-4-(2-methylpentan-3-yl)piperidine (PubChem CID 170952036) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-ethyl-4-(2-methylpentan-3-yl)piperidine.

Molecular Properties

Compound Name1-ethyl-4-(2-methylpentan-3-yl)piperidine
PubChem CID170952036
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-ethyl-4-(2-methylpentan-3-yl)piperidine
SMILESCCC(C(C)C)C1CCN(CC)CC1
InChIInChI=1S/C13H27N/c1-5-13(11(3)4)12-7-9-14(6-2)10-8-12/h11-13H,5-10H2,1-4H3
InChIKeyLXYLBZJBWNXAQO-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
1-ethyl-4-[1-(1-ethylpiperidin-4-yl)ethyl]piperazine
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2-[4-(2-methylpentan-3-yl)piperidin-1-yl]pyrimidine
CID 156639658
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
1-ethyl-4-(1-piperidin-1-ylethyl)piperidine
CID 176562548
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-3-methylbutanamide
CID 106344149
1-ethyl-4-(1-ethylpiperidin-4-yl)piperidine;methane
CID 158707588
1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 170281150
3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol
CID 83983052
3-butan-2-yl-8-[(1-ethylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 176985470
1-ethyl-N-(2-methylbutyl)piperidin-4-amine
CID 61038759

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(2-methylpentan-3-yl)piperidine?
The IUPAC name of 1-ethyl-4-(2-methylpentan-3-yl)piperidine (CID 170952036) is 1-ethyl-4-(2-methylpentan-3-yl)piperidine.
What is the SMILES notation for 1-ethyl-4-(2-methylpentan-3-yl)piperidine?
The canonical SMILES for 1-ethyl-4-(2-methylpentan-3-yl)piperidine is CCC(C(C)C)C1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-(2-methylpentan-3-yl)piperidine?
The InChIKey is LXYLBZJBWNXAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-5-13(11(3)4)12-7-9-14(6-2)10-8-12/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-ethyl-4-(2-methylpentan-3-yl)piperidine?
1-ethyl-4-(2-methylpentan-3-yl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(2-methylpentan-3-yl)piperidine is sourced from PubChem (CID 170952036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).