3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol

C10H17N3O — CID 18712990

IUPAC3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol
SMILESCc1cn(CC2(O)CCCNC2)cn1
InChIInChI=1S/C10H17N3O/c1-9-5-13(8-12-9)7-10(14)3-2-4-11-6-10/h5,8,11,14H,2-4,6-7H2,1H3
InChIKeySSAZODFCGDVPNV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.31
Rot. Bonds2

About 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol

3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol (PubChem CID 18712990) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol
PubChem CID18712990
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol
SMILESCc1cn(CC2(O)CCCNC2)cn1
InChIInChI=1S/C10H17N3O/c1-9-5-13(8-12-9)7-10(14)3-2-4-11-6-10/h5,8,11,14H,2-4,6-7H2,1H3
InChIKeySSAZODFCGDVPNV-UHFFFAOYSA-N
XLogP0.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol?
The IUPAC name of 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol (CID 18712990) is 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol?
The canonical SMILES for 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol is Cc1cn(CC2(O)CCCNC2)cn1.
What is the InChIKey of 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol?
The InChIKey is SSAZODFCGDVPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9-5-13(8-12-9)7-10(14)3-2-4-11-6-10/h5,8,11,14H,2-4,6-7H2,1H3.
What are the key properties of 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol?
3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol has a molecular weight of 195.27 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylimidazol-1-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 18712990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).