3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol

C13H20N2O — CID 114510870

IUPAC3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
SMILESCCC1CN(Cc2cccnc2)CCC1O
InChIInChI=1S/C13H20N2O/c1-2-12-10-15(7-5-13(12)16)9-11-4-3-6-14-8-11/h3-4,6,8,12-13,16H,2,5,7,9-10H2,1H3
InChIKeyVDNPTBBHDPVBTQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds3

About 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol

3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol (PubChem CID 114510870) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
PubChem CID114510870
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol
SMILESCCC1CN(Cc2cccnc2)CCC1O
InChIInChI=1S/C13H20N2O/c1-2-12-10-15(7-5-13(12)16)9-11-4-3-6-14-8-11/h3-4,6,8,12-13,16H,2,5,7,9-10H2,1H3
InChIKeyVDNPTBBHDPVBTQ-UHFFFAOYSA-N
XLogP1.67
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
methyl (3S)-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 142605380
3-[[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methyl]pyridine
CID 91916522
4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-3-ol
CID 649162
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
(3R,4R)-1-(pyridin-3-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 134709218
1-ethyl-2-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 150931235
3-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64832187
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
3-[(3S,4R)-4-(4-methylpiperazin-1-yl)-1-(pyridin-3-ylmethyl)piperidin-3-yl]propanoic acid
CID 118759209
2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]ethanamine;hydrochloride
CID 17245035

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol?
The IUPAC name of 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol (CID 114510870) is 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol?
The canonical SMILES for 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol is CCC1CN(Cc2cccnc2)CCC1O.
What is the InChIKey of 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol?
The InChIKey is VDNPTBBHDPVBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-12-10-15(7-5-13(12)16)9-11-4-3-6-14-8-11/h3-4,6,8,12-13,16H,2,5,7,9-10H2,1H3.
What are the key properties of 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol?
3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol has a molecular weight of 220.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(pyridin-3-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 114510870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).