1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol

C14H19N3O — CID 104926835

IUPAC1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2nc3ccccc3[nH]2)CC1O
InChIInChI=1S/C14H19N3O/c1-10-6-7-17(8-13(10)18)9-14-15-11-4-2-3-5-12(11)16-14/h2-5,10,13,18H,6-9H2,1H3,(H,15,16)
InChIKeyXSTYXZRYZXKUON-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.77
Rot. Bonds2

About 1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol

1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol (PubChem CID 104926835) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
PubChem CID104926835
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol
SMILESCC1CCN(Cc2nc3ccccc3[nH]2)CC1O
InChIInChI=1S/C14H19N3O/c1-10-6-7-17(8-13(10)18)9-14-15-11-4-2-3-5-12(11)16-14/h2-5,10,13,18H,6-9H2,1H3,(H,15,16)
InChIKeyXSTYXZRYZXKUON-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-1-[(6-bromo-1H-benzimidazol-2-yl)methyl]-4-methylpiperidin-3-ol
CID 99715280
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-1H-benzimidazole
CID 115314474
(6R)-1-(1H-benzimidazol-2-ylmethyl)-4-(furan-3-ylmethyl)-1,4-diazepan-6-ol
CID 99994580
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
(3S,4R)-1-(1H-benzimidazol-2-ylmethyl)-3-methoxypiperidin-4-amine;dihydrate
CID 67946488
4-[(3S)-1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 95729737
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
(4aR,8aS)-6-(1H-benzimidazol-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine;dihydrochloride
CID 154924128
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
[4-(1H-benzimidazol-2-ylmethyl)-6-methylmorpholin-2-yl]methanol
CID 102935708

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol (CID 104926835) is 1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol is CC1CCN(Cc2nc3ccccc3[nH]2)CC1O.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol?
The InChIKey is XSTYXZRYZXKUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-6-7-17(8-13(10)18)9-14-15-11-4-2-3-5-12(11)16-14/h2-5,10,13,18H,6-9H2,1H3,(H,15,16).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol?
1-(1H-benzimidazol-2-ylmethyl)-4-methylpiperidin-3-ol has a molecular weight of 245.33 g/mol, XLogP of 1.77, 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-ylmethyl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 104926835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).