2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol

C14H19N3O2 — CID 99776526

IUPAC2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
SMILESOCCO[C@H]1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H19N3O2/c18-8-9-19-11-4-3-7-17(10-11)14-15-12-5-1-2-6-13(12)16-14/h1-2,5-6,11,18H,3-4,7-10H2,(H,15,16)/t11-/m0/s1
InChIKeyYGNXGBPVQPLCCQ-NSHDSACASA-N
MW261.32 g/mol
LogP1.54
Rot. Bonds4

About 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol

2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol (PubChem CID 99776526) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
PubChem CID99776526
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
SMILESOCCO[C@H]1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C14H19N3O2/c18-8-9-19-11-4-3-7-17(10-11)14-15-12-5-1-2-6-13(12)16-14/h1-2,5-6,11,18H,3-4,7-10H2,(H,15,16)/t11-/m0/s1
InChIKeyYGNXGBPVQPLCCQ-NSHDSACASA-N
XLogP1.54
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]oxyethanol
CID 75421713
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
CID 133315289
3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055
2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814248
2-(3-pyrrolidin-2-ylpiperidin-1-yl)-1H-benzimidazole
CID 60978845
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
2-[4-(cyclopentylmethoxy)piperidin-1-yl]-1H-benzimidazole
CID 133410848
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole
CID 133411160
8-[3-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]oxypropyl]-8-azaspiro[4.5]decane-7,9-dione
CID 126543326
2-(3-phenylpyrrolidin-1-yl)-1H-benzimidazole
CID 133409902

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol (CID 99776526) is 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol is OCCO[C@H]1CCCN(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol?
The InChIKey is YGNXGBPVQPLCCQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O2/c18-8-9-19-11-4-3-7-17(10-11)14-15-12-5-1-2-6-13(12)16-14/h1-2,5-6,11,18H,3-4,7-10H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol?
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol has a molecular weight of 261.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 99776526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).