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

C15H20ClN5O — CID 163352657

IUPAC3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESCn1ncnc1CN1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C15H20ClN5O/c1-20-14(18-11-19-20)9-21-7-3-4-12(8-21)10-22-15-13(16)5-2-6-17-15/h2,5-6,11-12H,3-4,7-10H2,1H3
InChIKeyKYCDCKHGRUCRTO-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.15
Rot. Bonds5

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

3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine (PubChem CID 163352657) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
PubChem CID163352657
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESCn1ncnc1CN1CCCC(COc2ncccc2Cl)C1
InChIInChI=1S/C15H20ClN5O/c1-20-14(18-11-19-20)9-21-7-3-4-12(8-21)10-22-15-13(16)5-2-6-17-15/h2,5-6,11-12H,3-4,7-10H2,1H3
InChIKeyKYCDCKHGRUCRTO-UHFFFAOYSA-N
XLogP2.15
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
CID 163354526
5-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 163352717
4-[[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 163354714
3-(bromomethyl)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80680575
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352682
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
CID 163354645
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 163354080
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163352973
5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352850
N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-methyl-1,2,4-triazole
CID 80691588

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine (CID 163352657) is 3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine is Cn1ncnc1CN1CCCC(COc2ncccc2Cl)C1.
What is the InChIKey of 3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine?
The InChIKey is KYCDCKHGRUCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-20-14(18-11-19-20)9-21-7-3-4-12(8-21)10-22-15-13(16)5-2-6-17-15/h2,5-6,11-12H,3-4,7-10H2,1H3.
What are the key properties of 3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine?
3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine has a molecular weight of 321.81 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 163352657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).