2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile

C15H21N3 — CID 117024733

IUPAC2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile
SMILESCC1(C)CN(Cc2ccccn2)CCC1CC#N
InChIInChI=1S/C15H21N3/c1-15(2)12-18(10-7-13(15)6-8-16)11-14-5-3-4-9-17-14/h3-5,9,13H,6-7,10-12H2,1-2H3
InChIKeyFZTMBRAJEXFKCU-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.84
Rot. Bonds3

About 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile

2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile (PubChem CID 117024733) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile
PubChem CID117024733
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile
SMILESCC1(C)CN(Cc2ccccn2)CCC1CC#N
InChIInChI=1S/C15H21N3/c1-15(2)12-18(10-7-13(15)6-8-16)11-14-5-3-4-9-17-14/h3-5,9,13H,6-7,10-12H2,1-2H3
InChIKeyFZTMBRAJEXFKCU-UHFFFAOYSA-N
XLogP2.84
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]ethanamine
CID 117024792
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
CID 117007901
3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 117017714
CID 59694740
CID 59694740
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile
CID 52933322
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
2-[4,4-dimethyl-1-(pyridin-2-ylmethyl)piperidin-3-yl]acetic acid
CID 117025535
3,3-dimethyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 120967325

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile (CID 117024733) is 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile is CC1(C)CN(Cc2ccccn2)CCC1CC#N.
What is the InChIKey of 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile?
The InChIKey is FZTMBRAJEXFKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-15(2)12-18(10-7-13(15)6-8-16)11-14-5-3-4-9-17-14/h3-5,9,13H,6-7,10-12H2,1-2H3.
What are the key properties of 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile?
2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile is sourced from PubChem (CID 117024733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).