[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol

C14H19N3O — CID 133411172

IUPAC[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol
SMILESCC1(CO)CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H19N3O/c1-14(10-18)7-4-8-17(9-14)13-15-11-5-2-3-6-12(11)16-13/h2-3,5-6,18H,4,7-10H2,1H3,(H,15,16)
InChIKeyUDVKGLPXWASPKU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.16
Rot. Bonds2

About [1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol

[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol (PubChem CID 133411172) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol
PubChem CID133411172
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol
SMILESCC1(CO)CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H19N3O/c1-14(10-18)7-4-8-17(9-14)13-15-11-5-2-3-6-12(11)16-13/h2-3,5-6,18H,4,7-10H2,1H3,(H,15,16)
InChIKeyUDVKGLPXWASPKU-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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Related Compounds

1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-ol
CID 113343734
2-(5-azaspiro[2.5]octan-5-yl)-1H-benzimidazole
CID 133481137
2-(1H-benzimidazol-2-yl)-2,8-diazaspiro[5.5]undecane
CID 102850634
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
CID 133410916
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
CID 110376496
[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylpiperidin-3-yl]methanol
CID 133451629
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
1-[2-(1H-benzimidazol-2-yl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 77085622
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381

Frequently Asked Questions

What is the IUPAC name of [1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol?
The IUPAC name of [1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol (CID 133411172) is [1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol is CC1(CO)CCCN(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol?
The InChIKey is UDVKGLPXWASPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-14(10-18)7-4-8-17(9-14)13-15-11-5-2-3-6-12(11)16-13/h2-3,5-6,18H,4,7-10H2,1H3,(H,15,16).
What are the key properties of [1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-yl]methanol?
[1-(1H-benzimidazol-2-yl)-3-methylpiperidin-3-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-2-yl)-3-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 133411172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).