(2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol

C17H25N3O — CID 135304187

IUPAC(2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESCc1cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c2cc1C
InChIInChI=1S/C17H25N3O/c1-12-9-15-16(10-13(12)2)20(11-19-15)8-4-5-14-17(21)6-3-7-18-14/h9-11,14,17-18,21H,3-8H2,1-2H3/t14-,17+/m1/s1
InChIKeyIMVWMSOEBOPCPD-PBHICJAKSA-N
MW287.41 g/mol
LogP2.55
Rot. Bonds4

About (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol

(2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol (PubChem CID 135304187) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol
PubChem CID135304187
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESCc1cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c2cc1C
InChIInChI=1S/C17H25N3O/c1-12-9-15-16(10-13(12)2)20(11-19-15)8-4-5-14-17(21)6-3-7-18-14/h9-11,14,17-18,21H,3-8H2,1-2H3/t14-,17+/m1/s1
InChIKeyIMVWMSOEBOPCPD-PBHICJAKSA-N
XLogP2.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol (CID 135304187) is (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol is Cc1cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c2cc1C.
What is the InChIKey of (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol?
The InChIKey is IMVWMSOEBOPCPD-PBHICJAKSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-9-15-16(10-13(12)2)20(11-19-15)8-4-5-14-17(21)6-3-7-18-14/h9-11,14,17-18,21H,3-8H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol?
(2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol has a molecular weight of 287.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-(5,6-dimethylbenzimidazol-1-yl)propyl]piperidin-3-ol is sourced from PubChem (CID 135304187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).