(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone

C13H18N2O — CID 110738617

IUPAC(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
SMILESCC1(C)CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C13H18N2O/c1-13(2)5-9-15(10-6-13)12(16)11-3-7-14-8-4-11/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyMGGRBIDPGNDCKS-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.34
Rot. Bonds1

About (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone

(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone (PubChem CID 110738617) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
PubChem CID110738617
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone
SMILESCC1(C)CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C13H18N2O/c1-13(2)5-9-15(10-6-13)12(16)11-3-7-14-8-4-11/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyMGGRBIDPGNDCKS-UHFFFAOYSA-N
XLogP2.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
(4-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283849
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(4,4-dimethylpiperidin-1-yl)-(2-propan-2-yl-4-pyridinyl)methanone
CID 167547191
3-[4-(4,4-dimethylpiperidine-1-carbonyl)phenyl]-3-oxopropanenitrile
CID 175985768
(4-iodopiperazin-1-yl)-pyridin-4-ylmethanone
CID 164591496
N'-hydroxy-4-methylsulfanyl-1-(pyridine-4-carbonyl)piperidine-4-carboximidamide
CID 77108928
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
(4,4-dimethylpiperidin-1-yl)-(3-sulfanylphenyl)methanone
CID 107028906
(5R,9S)-N-methyl-2-(pyridine-4-carbonyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98896026
(2-methyl-3-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-8-yl)-pyridin-4-ylmethanone
CID 24733333

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone (CID 110738617) is (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone is CC1(C)CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone?
The InChIKey is MGGRBIDPGNDCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2)5-9-15(10-6-13)12(16)11-3-7-14-8-4-11/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone?
(4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone has a molecular weight of 218.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpiperidin-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 110738617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).