2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile

C14H19N3O — CID 45183630

IUPAC2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCCC1(CO)CCCN(c2ncccc2C#N)C1
InChIInChI=1S/C14H19N3O/c1-2-14(11-18)6-4-8-17(10-14)13-12(9-15)5-3-7-16-13/h3,5,7,18H,2,4,6,8,10-11H2,1H3
InChIKeyZURFUXGLALCICG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.94
Rot. Bonds3

About 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile

2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 45183630) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID45183630
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESCCC1(CO)CCCN(c2ncccc2C#N)C1
InChIInChI=1S/C14H19N3O/c1-2-14(11-18)6-4-8-17(10-14)13-12(9-15)5-3-7-16-13/h3,5,7,18H,2,4,6,8,10-11H2,1H3
InChIKeyZURFUXGLALCICG-UHFFFAOYSA-N
XLogP1.94
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Morpholinonicotinonitrile
CID 2737021
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935
2-(Morpholin-4-yl)pyridine-3-carbonitrile
CID 2763852
Acyclomirtazapine alcohol
CID 10221435
(1-(Pyridin-2-yl)piperidin-4-yl)methanol
CID 10774127
2-(Piperidin-1-yl)isonicotinonitrile
CID 477653
3-Pyridinecarbonitrile, 2-(4-methyl-1-piperazinyl)-
CID 819367
2-(Piperidin-1-yl)nicotinonitrile
CID 2763979
6-(4-Ethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 16748394
2-{4-(Hydroxymethyl)-4-[2-(trifluoromethyl)benzyl]piperidin-1-yl}nicotinonitrile
CID 56742482
2-[4-(3,4-Difluorobenzyl)-3-(2-hydroxyethyl)-1-piperazinyl]nicotinonitrile
CID 56894979
6-(3-Methylpiperidin-1-yl)pyridine-3-carbonitrile
CID 24692849

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 45183630) is 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile is CCC1(CO)CCCN(c2ncccc2C#N)C1.
What is the InChIKey of 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZURFUXGLALCICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-14(11-18)6-4-8-17(10-14)13-12(9-15)5-3-7-16-13/h3,5,7,18H,2,4,6,8,10-11H2,1H3.
What are the key properties of 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile?
2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 45183630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).