[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

C14H21N3O2 — CID 110311478

IUPAC[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H21N3O2/c1-16(2)13-12(6-3-7-15-13)14(19)17-8-4-5-11(9-17)10-18/h3,6-7,11,18H,4-5,8-10H2,1-2H3
InChIKeyXRLODPKBVZUXFH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.99
Rot. Bonds3

About [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone

[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110311478) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110311478
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCN(C)c1ncccc1C(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H21N3O2/c1-16(2)13-12(6-3-7-15-13)14(19)17-8-4-5-11(9-17)10-18/h3,6-7,11,18H,4-5,8-10H2,1-2H3
InChIKeyXRLODPKBVZUXFH-UHFFFAOYSA-N
XLogP0.99
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydrazinyl-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62234126
(3S)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348566
(3R)-N-cyclopentyl-1-[2-(dimethylamino)pyridine-3-carbonyl]piperidine-3-sulfonamide
CID 97348567
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
[2-(dimethylamino)-3-pyridinyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94570501
(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237
benzo[f]quinolin-5-yl-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110893934
(2-hydroxy-3-methylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403219
[2-[2-cyclopropylethyl(methyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133398555
(2-bromo-3-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103752797
[2-(ethylamino)-3-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628604

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 110311478) is [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is CN(C)c1ncccc1C(=O)N1CCCC(CO)C1.
What is the InChIKey of [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is XRLODPKBVZUXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)13-12(6-3-7-15-13)14(19)17-8-4-5-11(9-17)10-18/h3,6-7,11,18H,4-5,8-10H2,1-2H3.
What are the key properties of [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone?
[2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-3-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110311478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).