3-[(1-ethylpiperidin-4-yl)methyl]pyridine

C13H20N2 — CID 95821334

IUPAC3-[(1-ethylpiperidin-4-yl)methyl]pyridine
SMILESCCN1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C13H20N2/c1-2-15-8-5-12(6-9-15)10-13-4-3-7-14-11-13/h3-4,7,11-12H,2,5-6,8-10H2,1H3
InChIKeyHDJVRBKQKQFZRQ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.36
Rot. Bonds3

About 3-[(1-ethylpiperidin-4-yl)methyl]pyridine

3-[(1-ethylpiperidin-4-yl)methyl]pyridine (PubChem CID 95821334) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)methyl]pyridine
PubChem CID95821334
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-[(1-ethylpiperidin-4-yl)methyl]pyridine
SMILESCCN1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C13H20N2/c1-2-15-8-5-12(6-9-15)10-13-4-3-7-14-11-13/h3-4,7,11-12H,2,5-6,8-10H2,1H3
InChIKeyHDJVRBKQKQFZRQ-UHFFFAOYSA-N
XLogP2.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
[(3S)-1-ethyl-3-methylpiperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 126435090
3-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]pyridine
CID 120903790
3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine
CID 75451917
3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110269303
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
3-[(1-ethenylpyrrolidin-3-yl)methyl]pyridine
CID 175739171
1-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]ethanamine;dihydrochloride
CID 119920848
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
2-methyl-N-[[1-(2-pyridin-3-ylethyl)piperidin-4-yl]methyl]propan-1-amine
CID 63849817

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]pyridine?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]pyridine (CID 95821334) is 3-[(1-ethylpiperidin-4-yl)methyl]pyridine.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)methyl]pyridine?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)methyl]pyridine is CCN1CCC(Cc2cccnc2)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)methyl]pyridine?
The InChIKey is HDJVRBKQKQFZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-2-15-8-5-12(6-9-15)10-13-4-3-7-14-11-13/h3-4,7,11-12H,2,5-6,8-10H2,1H3.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)methyl]pyridine?
3-[(1-ethylpiperidin-4-yl)methyl]pyridine has a molecular weight of 204.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)methyl]pyridine is sourced from PubChem (CID 95821334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).