2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile

C15H21N3O — CID 172899335

IUPAC2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC(C(C)(C)O)CC2)n1
InChIInChI=1S/C15H21N3O/c1-11-4-5-12(10-16)14(17-11)18-8-6-13(7-9-18)15(2,3)19/h4-5,13,19H,6-9H2,1-3H3
InChIKeyCKNNBRACXBUHSZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.25
Rot. Bonds2

About 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile

2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 172899335) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID172899335
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC(C(C)(C)O)CC2)n1
InChIInChI=1S/C15H21N3O/c1-11-4-5-12(10-16)14(17-11)18-8-6-13(7-9-18)15(2,3)19/h4-5,13,19H,6-9H2,1-3H3
InChIKeyCKNNBRACXBUHSZ-UHFFFAOYSA-N
XLogP2.25
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
2-(8-azaspiro[4.5]decan-8-yl)-6-methylpyridine-3-carbonitrile
CID 55159875
2-(4-hydroxy-4-methylazepan-1-yl)-6-methylpyridine-3-carbonitrile
CID 107404520
2-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetaldehyde
CID 158047653
acetic acid;[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66879573
[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
CID 144625430
N-[1-(3-cyano-6-methyl-2-pyridinyl)azetidin-3-yl]-2,2-dimethylpropanamide
CID 171323471
6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
CID 57401602
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
CID 62232169
2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 171994335
6-methyl-2-[4-(3-methylsulfanylpropylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 72932015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 172899335) is 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCC(C(C)(C)O)CC2)n1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is CKNNBRACXBUHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-4-5-12(10-16)14(17-11)18-8-6-13(7-9-18)15(2,3)19/h4-5,13,19H,6-9H2,1-3H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 172899335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).