(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride

C14H21Cl3N4O — CID 142746476

IUPAC(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@H]1CCCN[C@@H]1CCCn1cnc2cnc(Cl)cc21
InChIInChI=1S/C14H19ClN4O.2ClH/c15-14-7-12-11(8-17-14)18-9-19(12)6-2-3-10-13(20)4-1-5-16-10;;/h7-10,13,16,20H,1-6H2;2*1H/t10-,13+;;/m1../s1
InChIKeyUVSSFMUVVXYERX-SRSVFUAYSA-N
MW367.71 g/mol
LogP2.82
Rot. Bonds4

About (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride

(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride (PubChem CID 142746476) has the molecular formula C14H21Cl3N4O and a molecular weight of 367.71 g/mol. Its IUPAC name is (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride
PubChem CID142746476
Molecular FormulaC14H21Cl3N4O
Molecular Weight367.71 g/mol
Exact Mass366.08
IUPAC Name(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@H]1CCCN[C@@H]1CCCn1cnc2cnc(Cl)cc21
InChIInChI=1S/C14H19ClN4O.2ClH/c15-14-7-12-11(8-17-14)18-9-19(12)6-2-3-10-13(20)4-1-5-16-10;;/h7-10,13,16,20H,1-6H2;2*1H/t10-,13+;;/m1../s1
InChIKeyUVSSFMUVVXYERX-SRSVFUAYSA-N
XLogP2.82
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.71
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304307
(2R,3S)-2-[3-(5,6-dibromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304190
(2R,3S)-2-[3-(6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 142411668
(2R,3S)-2-[3-(5-chloro-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 135304282
(2R,3S)-2-[3-(5-bromo-6-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746395
(2R,3S)-2-[3-(5-bromobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304084
(2R,3S)-2-[3-(6-fluoro-5-methoxybenzimidazol-1-yl)propyl]piperidin-3-ol;methane
CID 161451686
(2R,3S)-2-[3-(5-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304185
(2R,3S)-2-[3-(5-bromoimidazo[4,5-b]pyridin-1-yl)propyl]piperidin-3-ol
CID 135304241
(2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane
CID 158060116
2-[3-(6,7-difluorobenzimidazol-1-yl)propyl]piperidin-3-ol
CID 135304147
(2R,3S)-2-[3-(6-bromo-7-fluorobenzimidazol-1-yl)propyl]piperidin-3-ol;dihydrochloride
CID 142746355

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride?
The IUPAC name of (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride (CID 142746476) is (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride?
The canonical SMILES for (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride is Cl.Cl.O[C@H]1CCCN[C@@H]1CCCn1cnc2cnc(Cl)cc21.
What is the InChIKey of (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride?
The InChIKey is UVSSFMUVVXYERX-SRSVFUAYSA-N. The full InChI is InChI=1S/C14H19ClN4O.2ClH/c15-14-7-12-11(8-17-14)18-9-19(12)6-2-3-10-13(20)4-1-5-16-10;;/h7-10,13,16,20H,1-6H2;2*1H/t10-,13+;;/m1../s1.
What are the key properties of (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride?
(2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride has a molecular weight of 367.71 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3-(6-chloroimidazo[4,5-c]pyridin-1-yl)propyl]piperidin-3-ol;dihydrochloride is sourced from PubChem (CID 142746476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).