(3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol

C14H24N4O — CID 95866834

IUPAC(3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol
SMILESCc1cnc(C)c(N2CCC[C@](O)(CN(C)C)C2)n1
InChIInChI=1S/C14H24N4O/c1-11-8-15-12(2)13(16-11)18-7-5-6-14(19,10-18)9-17(3)4/h8,19H,5-7,9-10H2,1-4H3/t14-/m0/s1
InChIKeyNYFDCQUWGGJDLN-AWEZNQCLSA-N
MW264.37 g/mol
LogP0.99
Rot. Bonds3

About (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol

(3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol (PubChem CID 95866834) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol
PubChem CID95866834
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol
SMILESCc1cnc(C)c(N2CCC[C@](O)(CN(C)C)C2)n1
InChIInChI=1S/C14H24N4O/c1-11-8-15-12(2)13(16-11)18-7-5-6-14(19,10-18)9-17(3)4/h8,19H,5-7,9-10H2,1-4H3/t14-/m0/s1
InChIKeyNYFDCQUWGGJDLN-AWEZNQCLSA-N
XLogP0.99
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 97109969
3-[(dimethylamino)methyl]-1-methylpiperidin-3-ol
CID 84731989
ethyl 4-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 138031352
(4S)-4-[(dimethylamino)methyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azepan-4-ol
CID 95729864
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 124979178
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 110123702
(3S)-3-[(3-chlorophenyl)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 95549895
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 95719356
1-[(3,5-dichloro-4-pyridinyl)methyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 56916014
(3S)-3-[(dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-ol
CID 95882427
[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56914584
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol?
The IUPAC name of (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol (CID 95866834) is (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol?
The canonical SMILES for (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol is Cc1cnc(C)c(N2CCC[C@](O)(CN(C)C)C2)n1.
What is the InChIKey of (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol?
The InChIKey is NYFDCQUWGGJDLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11-8-15-12(2)13(16-11)18-7-5-6-14(19,10-18)9-17(3)4/h8,19H,5-7,9-10H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol?
(3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol has a molecular weight of 264.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(dimethylamino)methyl]-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-ol is sourced from PubChem (CID 95866834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).