[1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol

C14H19N3O — CID 166081484

IUPAC[1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(c2cccc3[nH]cnc23)CC1
InChIInChI=1S/C14H19N3O/c1-14(9-18)5-7-17(8-6-14)12-4-2-3-11-13(12)16-10-15-11/h2-4,10,18H,5-9H2,1H3,(H,15,16)
InChIKeyYYXOWWCUPUDPFB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.16
Rot. Bonds2

About [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol

[1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol (PubChem CID 166081484) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol
PubChem CID166081484
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol
SMILESCC1(CO)CCN(c2cccc3[nH]cnc23)CC1
InChIInChI=1S/C14H19N3O/c1-14(9-18)5-7-17(8-6-14)12-4-2-3-11-13(12)16-10-15-11/h2-4,10,18H,5-9H2,1H3,(H,15,16)
InChIKeyYYXOWWCUPUDPFB-UHFFFAOYSA-N
XLogP2.16
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol?
The IUPAC name of [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol (CID 166081484) is [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol is CC1(CO)CCN(c2cccc3[nH]cnc23)CC1.
What is the InChIKey of [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol?
The InChIKey is YYXOWWCUPUDPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(9-18)5-7-17(8-6-14)12-4-2-3-11-13(12)16-10-15-11/h2-4,10,18H,5-9H2,1H3,(H,15,16).
What are the key properties of [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol?
[1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol has a molecular weight of 245.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-benzimidazol-4-yl)-4-methylpiperidin-4-yl]methanol is sourced from PubChem (CID 166081484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).