2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol

C17H23ClN4O2 — CID 50958934

IUPAC2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol
SMILESCOc1ccc(CN2CCC(Cc3nncn3C)CC2)c(Cl)c1O
InChIInChI=1S/C17H23ClN4O2/c1-21-11-19-20-15(21)9-12-5-7-22(8-6-12)10-13-3-4-14(24-2)17(23)16(13)18/h3-4,11-12,23H,5-10H2,1-2H3
InChIKeyRQBUNMQKMBZVBW-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.64
Rot. Bonds5

About 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol

2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol (PubChem CID 50958934) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol
PubChem CID50958934
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol
SMILESCOc1ccc(CN2CCC(Cc3nncn3C)CC2)c(Cl)c1O
InChIInChI=1S/C17H23ClN4O2/c1-21-11-19-20-15(21)9-12-5-7-22(8-6-12)10-13-3-4-14(24-2)17(23)16(13)18/h3-4,11-12,23H,5-10H2,1-2H3
InChIKeyRQBUNMQKMBZVBW-UHFFFAOYSA-N
XLogP2.64
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

1-[(2,3-difluoro-6-methoxyphenyl)methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 70718993
2,4-dichloro-6-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol
CID 50968839
2-[2-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 50963524
4-benzyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 136580193
(2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 50957616
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 112733969
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
2-[[4-(2-aminoethyl)piperidin-1-yl]methyl]-4-chloro-6-methoxyphenol
CID 104666523
1-[(3-chloro-4-methoxyphenyl)methyl]-4-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 74241223
1-[[1-(3,4-dimethylphenyl)pyrazol-4-yl]methyl]-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 50961421
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol (CID 50958934) is 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol is COc1ccc(CN2CCC(Cc3nncn3C)CC2)c(Cl)c1O.
What is the InChIKey of 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol?
The InChIKey is RQBUNMQKMBZVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-21-11-19-20-15(21)9-12-5-7-22(8-6-12)10-13-3-4-14(24-2)17(23)16(13)18/h3-4,11-12,23H,5-10H2,1-2H3.
What are the key properties of 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol?
2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol has a molecular weight of 350.85 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-3-[[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 50958934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).