1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol

C10H18N4O — CID 65447755

IUPAC1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)Cn1ccnc1
InChIInChI=1S/C10H18N4O/c15-10(8-14-6-3-12-9-14)7-13-4-1-11-2-5-13/h3,6,9-11,15H,1-2,4-5,7-8H2
InChIKeyBKSKDPSUAHSMSD-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.85
Rot. Bonds4

About 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol

1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol (PubChem CID 65447755) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
PubChem CID65447755
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol
SMILESOC(CN1CCNCC1)Cn1ccnc1
InChIInChI=1S/C10H18N4O/c15-10(8-14-6-3-12-9-14)7-13-4-1-11-2-5-13/h3,6,9-11,15H,1-2,4-5,7-8H2
InChIKeyBKSKDPSUAHSMSD-UHFFFAOYSA-N
XLogP-0.85
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-diazepan-1-yl)-3-pyrazol-1-ylpropan-2-ol
CID 102538343
1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-(2-hydroxy-3-piperazin-1-ylpropyl)-1,2,4-triazole-3-carbonitrile
CID 65449452
1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
CID 155555132
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate
CID 23274573
N-(3-imidazol-1-ylpropyl)-2-piperazin-1-ylpropanamide
CID 43130667
1-(benzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 57210584
1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 70744871
(2R)-1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95872865
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol (CID 65447755) is 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol is OC(CN1CCNCC1)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol?
The InChIKey is BKSKDPSUAHSMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c15-10(8-14-6-3-12-9-14)7-13-4-1-11-2-5-13/h3,6,9-11,15H,1-2,4-5,7-8H2.
What are the key properties of 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol?
1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol has a molecular weight of 210.28 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65447755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).