4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

C17H29Cl2N3O2 — CID 171291937

IUPAC4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
SMILESCc1ncc(CO)c([C@@H](C2CCCC2)N2CCNCC2)c1O.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-12-17(22)15(14(11-21)10-19-12)16(13-4-2-3-5-13)20-8-6-18-7-9-20;;/h10,13,16,18,21-22H,2-9,11H2,1H3;2*1H/t16-;;/m1../s1
InChIKeyLKCOMOMIOWCHHM-GGMCWBHBSA-N
MW378.34 g/mol
LogP2.57
Rot. Bonds4

About 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride

4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride (PubChem CID 171291937) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride.

Molecular Properties

Compound Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
PubChem CID171291937
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
SMILESCc1ncc(CO)c([C@@H](C2CCCC2)N2CCNCC2)c1O.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-12-17(22)15(14(11-21)10-19-12)16(13-4-2-3-5-13)20-8-6-18-7-9-20;;/h10,13,16,18,21-22H,2-9,11H2,1H3;2*1H/t16-;;/m1../s1
InChIKeyLKCOMOMIOWCHHM-GGMCWBHBSA-N
XLogP2.57
TPSA68.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-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-[(R)-cyclohexyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 171291939
4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride
CID 171291953
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-ylpentyl]pyridin-3-ol;dihydrochloride
CID 171309268
5-(hydroxymethyl)-2-methyl-4-[(1S)-1-piperazin-1-ylbut-3-enyl]pyridin-3-ol
CID 171279308
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-3-fluoro-6-methylphenol;dihydrochloride
CID 171300893
3-bromo-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]-6-methylphenol;dihydrochloride
CID 171297414
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-3,6-difluorophenol;dihydrochloride
CID 171300095
3,6-dibromo-2-[(R)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171300252
6-amino-2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-3-methylphenol
CID 171298055
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,3,5-triol
CID 171284672

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
The IUPAC name of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride (CID 171291937) is 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride.
What is the SMILES notation for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
The canonical SMILES for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride is Cc1ncc(CO)c([C@@H](C2CCCC2)N2CCNCC2)c1O.Cl.Cl.
What is the InChIKey of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
The InChIKey is LKCOMOMIOWCHHM-GGMCWBHBSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-12-17(22)15(14(11-21)10-19-12)16(13-4-2-3-5-13)20-8-6-18-7-9-20;;/h10,13,16,18,21-22H,2-9,11H2,1H3;2*1H/t16-;;/m1../s1.
What are the key properties of 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride?
4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-cyclopentyl(piperazin-1-yl)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride is sourced from PubChem (CID 171291937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).