1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid

C13H15N3O2 — CID 82020132

IUPAC1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid
SMILESN#CC(c1ccncc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H15N3O2/c14-9-12(10-1-5-15-6-2-10)16-7-3-11(4-8-16)13(17)18/h1-2,5-6,11-12H,3-4,7-8H2,(H,17,18)
InChIKeyJMOXXNDLALYCEW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.44
Rot. Bonds3

About 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid

1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 82020132) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid
PubChem CID82020132
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid
SMILESN#CC(c1ccncc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H15N3O2/c14-9-12(10-1-5-15-6-2-10)16-7-3-11(4-8-16)13(17)18/h1-2,5-6,11-12H,3-4,7-8H2,(H,17,18)
InChIKeyJMOXXNDLALYCEW-UHFFFAOYSA-N
XLogP1.44
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[cyano-(3-nitrophenyl)methyl]piperidine-4-carboxylic acid
CID 84756724
1-[cyano-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 84817743
1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 4216734
1-[cyano-(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 84756626
2-(4-chlorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350201
propan-2-yl 1-(1-pyridin-4-ylethyl)piperidine-4-carboxylate
CID 20754611
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 3890618
1-[phenyl(pyridin-4-yl)methyl]piperidine-3-carboxylic acid
CID 3536798
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-fluorophenyl)acetonitrile
CID 110349596
(4-methoxyphenyl)-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]methanone
CID 136524982
1-[isoquinolin-6-yl-(4-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3534185

Frequently Asked Questions

What is the IUPAC name of 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid (CID 82020132) is 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid is N#CC(c1ccncc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is JMOXXNDLALYCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-12(10-1-5-15-6-2-10)16-7-3-11(4-8-16)13(17)18/h1-2,5-6,11-12H,3-4,7-8H2,(H,17,18).
What are the key properties of 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid?
1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyano(pyridin-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82020132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).