5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine

C14H18ClN3 — CID 117132317

IUPAC5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCN1CCCC(Cc2cn3c(Cl)cccc3n2)C1
InChIInChI=1S/C14H18ClN3/c1-17-7-3-4-11(9-17)8-12-10-18-13(15)5-2-6-14(18)16-12/h2,5-6,10-11H,3-4,7-9H2,1H3
InChIKeyRTBAOMVVPYTLSZ-UHFFFAOYSA-N
MW263.77 g/mol
LogP2.87
Rot. Bonds2

About 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine

5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 117132317) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID117132317
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCN1CCCC(Cc2cn3c(Cl)cccc3n2)C1
InChIInChI=1S/C14H18ClN3/c1-17-7-3-4-11(9-17)8-12-10-18-13(15)5-2-6-14(18)16-12/h2,5-6,10-11H,3-4,7-9H2,1H3
InChIKeyRTBAOMVVPYTLSZ-UHFFFAOYSA-N
XLogP2.87
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132335
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250
2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117132331
2-[(5-chloroimidazo[1,2-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132170
2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine
CID 124641722
2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132364
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117131424
2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117130057
[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridin-5-yl]methanamine
CID 117132004
3-[(1-methylpiperidin-3-yl)methyl]pyridazine
CID 117106273
6-methyl-2-[(1-methylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117154258
2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridin-7-amine
CID 117133789

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine (CID 117132317) is 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine is CN1CCCC(Cc2cn3c(Cl)cccc3n2)C1.
What is the InChIKey of 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is RTBAOMVVPYTLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-17-7-3-4-11(9-17)8-12-10-18-13(15)5-2-6-14(18)16-12/h2,5-6,10-11H,3-4,7-9H2,1H3.
What are the key properties of 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine?
5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 263.77 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 117132317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).