6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile

C15H22N4 — CID 79719998

IUPAC6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)N(CC1CCNCC1)c1ccc(C#N)cn1
InChIInChI=1S/C15H22N4/c1-12(2)19(11-13-5-7-17-8-6-13)15-4-3-14(9-16)10-18-15/h3-4,10,12-13,17H,5-8,11H2,1-2H3
InChIKeyKHGNRADSQJXCQR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.17
Rot. Bonds4

About 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile

6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 79719998) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile
PubChem CID79719998
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(C)N(CC1CCNCC1)c1ccc(C#N)cn1
InChIInChI=1S/C15H22N4/c1-12(2)19(11-13-5-7-17-8-6-13)15-4-3-14(9-16)10-18-15/h3-4,10,12-13,17H,5-8,11H2,1-2H3
InChIKeyKHGNRADSQJXCQR-UHFFFAOYSA-N
XLogP2.17
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719387
5-methoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106504475
N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 79720132
3-bromo-4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzonitrile
CID 82809511
4-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-2-carbonitrile
CID 79719702
N-(piperidin-4-ylmethyl)-N-propan-2-ylquinoxalin-2-amine
CID 79705201
3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977
2-chloro-4-[piperidin-4-ylmethyl(propan-2-yl)amino]benzonitrile
CID 79719772
6-ethoxy-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 79719565
6-methyl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyrimidine-4-carbonitrile
CID 107552639
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122

Frequently Asked Questions

What is the IUPAC name of 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile (CID 79719998) is 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile is CC(C)N(CC1CCNCC1)c1ccc(C#N)cn1.
What is the InChIKey of 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is KHGNRADSQJXCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(2)19(11-13-5-7-17-8-6-13)15-4-3-14(9-16)10-18-15/h3-4,10,12-13,17H,5-8,11H2,1-2H3.
What are the key properties of 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile?
6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 79719998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).