4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

C16H29Cl2N3O2 — CID 171291953

IUPAC4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
SMILESCc1ncc(CO)c([C@H](N2CCNCC2)C(C)(C)C)c1O.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-11-14(21)13(12(10-20)9-18-11)15(16(2,3)4)19-7-5-17-6-8-19;;/h9,15,17,20-21H,5-8,10H2,1-4H3;2*1H/t15-;;/m0../s1
InChIKeyHKPQQZNUHPGWOJ-CKUXDGONSA-N
MW366.33 g/mol
LogP2.42
Rot. Bonds3

About 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride (PubChem CID 171291953) has the molecular formula C16H29Cl2N3O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
PubChem CID171291953
Molecular FormulaC16H29Cl2N3O2
Molecular Weight366.33 g/mol
Exact Mass365.16
IUPAC Name4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
SMILESCc1ncc(CO)c([C@H](N2CCNCC2)C(C)(C)C)c1O.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-11-14(21)13(12(10-20)9-18-11)15(16(2,3)4)19-7-5-17-6-8-19;;/h9,15,17,20-21H,5-8,10H2,1-4H3;2*1H/t15-;;/m0../s1
InChIKeyHKPQQZNUHPGWOJ-CKUXDGONSA-N
XLogP2.42
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride with MolForge

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Related Compounds

4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 171291928
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 171291937
5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride
CID 171309268
5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylbut-3-enyl]pyridin-3-ol
CID 171279308
4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 171291939
4-[(1R)-1-amino-2,2-dimethylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 131472336
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,6-difluorophenol;dihydrochloride
CID 171297630
4-[(1R)-1-aminoprop-2-enyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207895
1-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]naphthalen-2-ol
CID 171281801
4-[(1R)-1-amino-3-hydroxypropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 171207938
2,4,6-tribromo-3-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171296846
4-[(1S)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]-3,5-dimethylphenol
CID 171189836

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
The IUPAC name of 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride (CID 171291953) is 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride.
What is the SMILES notation for 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
The canonical SMILES for 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride is Cc1ncc(CO)c([C@H](N2CCNCC2)C(C)(C)C)c1O.Cl.Cl.
What is the InChIKey of 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
The InChIKey is HKPQQZNUHPGWOJ-CKUXDGONSA-N. The full InChI is InChI=1S/C16H27N3O2.2ClH/c1-11-14(21)13(12(10-20)9-18-11)15(16(2,3)4)19-7-5-17-6-8-19;;/h9,15,17,20-21H,5-8,10H2,1-4H3;2*1H/t15-;;/m0../s1.
What are the key properties of 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride has a molecular weight of 366.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride is sourced from PubChem (CID 171291953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).