2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine

C16H26N2 — CID 164926942

IUPAC2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCCN(c2ccc(C(C)CC)nc2)C1
InChIInChI=1S/C16H26N2/c1-4-13(3)16-9-8-15(11-17-16)18-10-6-7-14(5-2)12-18/h8-9,11,13-14H,4-7,10,12H2,1-3H3
InChIKeyMTPLEBAPRYDXRJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.22
Rot. Bonds4

About 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine

2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine (PubChem CID 164926942) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine
PubChem CID164926942
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine
SMILESCCC1CCCN(c2ccc(C(C)CC)nc2)C1
InChIInChI=1S/C16H26N2/c1-4-13(3)16-9-8-15(11-17-16)18-10-6-7-14(5-2)12-18/h8-9,11,13-14H,4-7,10,12H2,1-3H3
InChIKeyMTPLEBAPRYDXRJ-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine
CID 139538940
[1-[6-[(1R)-1-aminopropyl]-3-pyridinyl]piperidin-3-yl]methanol
CID 103937018
1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 106587252
2-[1-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperidin-3-yl]ethanol
CID 107227793
4-(3-ethylpiperidin-1-yl)aniline
CID 43584200
2-(1-methylazepan-4-yl)-3-[1-(6-propan-2-yl-3-pyridinyl)piperidin-3-yl]propan-1-ol
CID 156651655
1-[6-[(1S)-1-aminoethyl]-3-pyridinyl]piperidin-3-ol
CID 83122329
(1S)-1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]ethanol
CID 83131405
1-[6-(1-aminopropyl)-3-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 112584494
(1R)-1-[5-(2-ethyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethanamine
CID 114218474
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003
(1R)-1-[5-[3-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
CID 103937448

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine?
The IUPAC name of 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine (CID 164926942) is 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine?
The canonical SMILES for 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine is CCC1CCCN(c2ccc(C(C)CC)nc2)C1.
What is the InChIKey of 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine?
The InChIKey is MTPLEBAPRYDXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13(3)16-9-8-15(11-17-16)18-10-6-7-14(5-2)12-18/h8-9,11,13-14H,4-7,10,12H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine?
2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine has a molecular weight of 246.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-(3-ethylpiperidin-1-yl)pyridine is sourced from PubChem (CID 164926942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).