(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol

C17H25N3O — CID 99851245

IUPAC(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
SMILESCC[C@H](O)CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C17H25N3O/c1-3-14(21)11-20-8-4-5-13(10-20)17-18-15-7-6-12(2)9-16(15)19-17/h6-7,9,13-14,21H,3-5,8,10-11H2,1-2H3,(H,18,19)/t13-,14+/m1/s1
InChIKeyURWBSVFZEIGXOS-KGLIPLIRSA-N
MW287.41 g/mol
LogP2.82
Rot. Bonds4

About (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol

(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol (PubChem CID 99851245) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
PubChem CID99851245
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
SMILESCC[C@H](O)CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1
InChIInChI=1S/C17H25N3O/c1-3-14(21)11-20-8-4-5-13(10-20)17-18-15-7-6-12(2)9-16(15)19-17/h6-7,9,13-14,21H,3-5,8,10-11H2,1-2H3,(H,18,19)/t13-,14+/m1/s1
InChIKeyURWBSVFZEIGXOS-KGLIPLIRSA-N
XLogP2.82
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol with MolForge

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Related Compounds

1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol
CID 84596080
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
3,5-dimethyl-4-[[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 97328833
2-[(3S)-1-(azepan-1-ylsulfonyl)piperidin-3-yl]-6-methyl-1H-benzimidazole
CID 97258168
2-methyl-1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 122137072
2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide
CID 167767525
N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223963
1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
CID 84596082
(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
CID 129432836
N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223968
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol?
The IUPAC name of (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol (CID 99851245) is (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol is CC[C@H](O)CN1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1.
What is the InChIKey of (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol?
The InChIKey is URWBSVFZEIGXOS-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-14(21)11-20-8-4-5-13(10-20)17-18-15-7-6-12(2)9-16(15)19-17/h6-7,9,13-14,21H,3-5,8,10-11H2,1-2H3,(H,18,19)/t13-,14+/m1/s1.
What are the key properties of (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol?
(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol has a molecular weight of 287.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 99851245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).