2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile

C13H17ClN4 — CID 107061304

IUPAC2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile
SMILESCC1CCC(CN)CN1c1nccc(C#N)c1Cl
InChIInChI=1S/C13H17ClN4/c1-9-2-3-10(6-15)8-18(9)13-12(14)11(7-16)4-5-17-13/h4-5,9-10H,2-3,6,8,15H2,1H3
InChIKeyVWNYGSYYNCYMDZ-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.17
Rot. Bonds2

About 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile

2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile (PubChem CID 107061304) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile
PubChem CID107061304
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile
SMILESCC1CCC(CN)CN1c1nccc(C#N)c1Cl
InChIInChI=1S/C13H17ClN4/c1-9-2-3-10(6-15)8-18(9)13-12(14)11(7-16)4-5-17-13/h4-5,9-10H,2-3,6,8,15H2,1H3
InChIKeyVWNYGSYYNCYMDZ-UHFFFAOYSA-N
XLogP2.17
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061376
3-chloro-2-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107057088
3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one
CID 62927501
3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 62927503
(6-methyl-1-pyrimidin-4-ylpiperidin-3-yl)methanamine
CID 62586721
5-[5-(aminomethyl)-2-methylpiperidin-1-yl]-2-nitrobenzonitrile
CID 115500527
2-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061360
2-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061267
3-chloro-2-[4-(dimethylamino)piperidin-1-yl]pyridine-4-carbonitrile
CID 107057012
[1-(4-methoxypyrimidin-2-yl)-6-methylpiperidin-3-yl]methanamine
CID 62586902
3-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 107058347
1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 107057278

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile (CID 107061304) is 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile is CC1CCC(CN)CN1c1nccc(C#N)c1Cl.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile?
The InChIKey is VWNYGSYYNCYMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-9-2-3-10(6-15)8-18(9)13-12(14)11(7-16)4-5-17-13/h4-5,9-10H,2-3,6,8,15H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile?
2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile has a molecular weight of 264.76 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).