(3-methylimidazol-4-yl)-piperidin-2-ylmethanol

C10H17N3O — CID 66118821

IUPAC(3-methylimidazol-4-yl)-piperidin-2-ylmethanol
SMILESCn1cncc1C(O)C1CCCCN1
InChIInChI=1S/C10H17N3O/c1-13-7-11-6-9(13)10(14)8-4-2-3-5-12-8/h6-8,10,12,14H,2-5H2,1H3
InChIKeyFQLWCMRRDQCHOS-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.60
Rot. Bonds2

About (3-methylimidazol-4-yl)-piperidin-2-ylmethanol

(3-methylimidazol-4-yl)-piperidin-2-ylmethanol (PubChem CID 66118821) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-piperidin-2-ylmethanol.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-piperidin-2-ylmethanol
PubChem CID66118821
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(3-methylimidazol-4-yl)-piperidin-2-ylmethanol
SMILESCn1cncc1C(O)C1CCCCN1
InChIInChI=1S/C10H17N3O/c1-13-7-11-6-9(13)10(14)8-4-2-3-5-12-8/h6-8,10,12,14H,2-5H2,1H3
InChIKeyFQLWCMRRDQCHOS-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-piperidin-2-ylmethanol?
The IUPAC name of (3-methylimidazol-4-yl)-piperidin-2-ylmethanol (CID 66118821) is (3-methylimidazol-4-yl)-piperidin-2-ylmethanol.
What is the SMILES notation for (3-methylimidazol-4-yl)-piperidin-2-ylmethanol?
The canonical SMILES for (3-methylimidazol-4-yl)-piperidin-2-ylmethanol is Cn1cncc1C(O)C1CCCCN1.
What is the InChIKey of (3-methylimidazol-4-yl)-piperidin-2-ylmethanol?
The InChIKey is FQLWCMRRDQCHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-13-7-11-6-9(13)10(14)8-4-2-3-5-12-8/h6-8,10,12,14H,2-5H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-piperidin-2-ylmethanol?
(3-methylimidazol-4-yl)-piperidin-2-ylmethanol has a molecular weight of 195.27 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-piperidin-2-ylmethanol is sourced from PubChem (CID 66118821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).