5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride

C16H29Cl2N3O2 — CID 171309268

IUPAC5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride
SMILESCCCC[C@@H](c1c(CO)cnc(C)c1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-3-4-5-14(19-8-6-17-7-9-19)15-13(11-20)10-18-12(2)16(15)21;;/h10,14,17,20-21H,3-9,11H2,1-2H3;2*1H/t14-;;/m0../s1
InChIKeyGYSYGCDCQTWRHM-UTLKBRERSA-N
MW366.33 g/mol
LogP2.57
Rot. Bonds6

About 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride

5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride (PubChem CID 171309268) has the molecular formula C16H29Cl2N3O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride
PubChem CID171309268
Molecular FormulaC16H29Cl2N3O2
Molecular Weight366.33 g/mol
Exact Mass365.16
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride
SMILESCCCC[C@@H](c1c(CO)cnc(C)c1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C16H27N3O2.2ClH/c1-3-4-5-14(19-8-6-17-7-9-19)15-13(11-20)10-18-12(2)16(15)21;;/h10,14,17,20-21H,3-9,11H2,1-2H3;2*1H/t14-;;/m0../s1
InChIKeyGYSYGCDCQTWRHM-UTLKBRERSA-N
XLogP2.57
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 171291928
5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylbut-3-enyl]pyridin-3-ol
CID 171279308
4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 171291953
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 171291937
4-[(R)-cyclohexyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 171291939
2,6-dimethyl-4-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307810
5-(hydroxymethyl)-4-(1-hydroxynonadecyl)-2-methylpyridin-3-ol
CID 175117629
2-[(1R)-1-piperazin-1-ylpentyl]benzene-1,3,5-triol
CID 171308517
2,4,6-tribromo-3-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171309768
2,4-diiodo-6-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171309738
1-[(1R)-1-(2,3,4,5,6-pentafluorophenyl)pentyl]piperazine;hydrochloride
CID 171172183
2,4-diiodo-6-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171309737

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride (CID 171309268) is 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride is CCCC[C@@H](c1c(CO)cnc(C)c1O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride?
The InChIKey is GYSYGCDCQTWRHM-UTLKBRERSA-N. The full InChI is InChI=1S/C16H27N3O2.2ClH/c1-3-4-5-14(19-8-6-17-7-9-19)15-13(11-20)10-18-12(2)16(15)21;;/h10,14,17,20-21H,3-9,11H2,1-2H3;2*1H/t14-;;/m0../s1.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride?
5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride has a molecular weight of 366.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylpentyl]pyridin-3-ol;dihydrochloride is sourced from PubChem (CID 171309268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).