5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile

C19H28N4O — CID 133338678

IUPAC5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC1CN(CCC2CCN(c3ccc(C#N)nc3)CC2)CC(C)O1
InChIInChI=1S/C19H28N4O/c1-15-13-22(14-16(2)24-15)8-5-17-6-9-23(10-7-17)19-4-3-18(11-20)21-12-19/h3-4,12,15-17H,5-10,13-14H2,1-2H3
InChIKeyZQFADHBPAMHSAE-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.67
Rot. Bonds4

About 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile

5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 133338678) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID133338678
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCC1CN(CCC2CCN(c3ccc(C#N)nc3)CC2)CC(C)O1
InChIInChI=1S/C19H28N4O/c1-15-13-22(14-16(2)24-15)8-5-17-6-9-23(10-7-17)19-4-3-18(11-20)21-12-19/h3-4,12,15-17H,5-10,13-14H2,1-2H3
InChIKeyZQFADHBPAMHSAE-UHFFFAOYSA-N
XLogP2.67
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490407
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
(2R,6R)-4-[2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 124890056
4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338581
2-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]ethyl acetate
CID 101468380
5-[4-[(2R)-2-methylmorpholin-4-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97119042
5-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 133369795
3-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133338628
1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 124615419
5-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carbonitrile
CID 104977608
4-[2-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]ethyl]-2,6-dimethylmorpholine
CID 133338682
2,6-dimethyl-4-[2-[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]ethyl]morpholine
CID 133338629

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile (CID 133338678) is 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile is CC1CN(CCC2CCN(c3ccc(C#N)nc3)CC2)CC(C)O1.
What is the InChIKey of 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is ZQFADHBPAMHSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15-13-22(14-16(2)24-15)8-5-17-6-9-23(10-7-17)19-4-3-18(11-20)21-12-19/h3-4,12,15-17H,5-10,13-14H2,1-2H3.
What are the key properties of 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile?
5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 328.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133338678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).