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

C16H23N3O — CID 135304145

IUPAC(2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESCc1ccc2c(c1)ncn2CCC[C@H]1NCCC[C@@H]1O
InChIInChI=1S/C16H23N3O/c1-12-6-7-15-14(10-12)18-11-19(15)9-3-4-13-16(20)5-2-8-17-13/h6-7,10-11,13,16-17,20H,2-5,8-9H2,1H3/t13-,16+/m1/s1
InChIKeyQHRTXUXVHCVXLM-CJNGLKHVSA-N
MW273.38 g/mol
LogP2.24
Rot. Bonds4

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

(2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol (PubChem CID 135304145) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol
PubChem CID135304145
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol
SMILESCc1ccc2c(c1)ncn2CCC[C@H]1NCCC[C@@H]1O
InChIInChI=1S/C16H23N3O/c1-12-6-7-15-14(10-12)18-11-19(15)9-3-4-13-16(20)5-2-8-17-13/h6-7,10-11,13,16-17,20H,2-5,8-9H2,1H3/t13-,16+/m1/s1
InChIKeyQHRTXUXVHCVXLM-CJNGLKHVSA-N
XLogP2.24
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.24
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-methylbenzimidazol-1-yl)propyl]piperidin-3-ol?
The IUPAC name of (2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol (CID 135304145) is (2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol.
What is the SMILES notation for (2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol?
The canonical SMILES for (2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol is Cc1ccc2c(c1)ncn2CCC[C@H]1NCCC[C@@H]1O.
What is the InChIKey of (2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol?
The InChIKey is QHRTXUXVHCVXLM-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-6-7-15-14(10-12)18-11-19(15)9-3-4-13-16(20)5-2-8-17-13/h6-7,10-11,13,16-17,20H,2-5,8-9H2,1H3/t13-,16+/m1/s1.
What are the key properties of (2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol?
(2R,3S)-2-[3-(5-methylbenzimidazol-1-yl)propyl]piperidin-3-ol has a molecular weight of 273.38 g/mol, XLogP of 2.24, 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-methylbenzimidazol-1-yl)propyl]piperidin-3-ol is sourced from PubChem (CID 135304145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).