3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine

C19H21ClN4 — CID 97166664

IUPAC3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN4/c20-12-18-22-17-9-4-10-21-19(17)24(18)16-8-5-11-23(14-16)13-15-6-2-1-3-7-15/h1-4,6-7,9-10,16H,5,8,11-14H2/t16-/m1/s1
InChIKeyBQITYXQICRMMBY-MRXNPFEDSA-N
MW340.86 g/mol
LogP4.01
Rot. Bonds4

About 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine

3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine (PubChem CID 97166664) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine
PubChem CID97166664
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine
SMILESClCc1nc2cccnc2n1[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H21ClN4/c20-12-18-22-17-9-4-10-21-19(17)24(18)16-8-5-11-23(14-16)13-15-6-2-1-3-7-15/h1-4,6-7,9-10,16H,5,8,11-14H2/t16-/m1/s1
InChIKeyBQITYXQICRMMBY-MRXNPFEDSA-N
XLogP4.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(1-benzylpiperidin-3-yl)-2-(chloromethyl)benzimidazole
CID 71646521
1-[3-[(3R)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 97170827
1-[3-[(3S)-1-benzylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-yl]ethanone
CID 97170828
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294395
3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 79289515
2-(chloromethyl)-3-(4-ethylcyclohexyl)imidazo[4,5-b]pyridine
CID 79294728
4-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1-oxide
CID 113480268
2-(chloromethyl)-3-(1-ethylpiperidin-3-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136165
3-(1-ethylpiperidin-3-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163257
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
2-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117159854
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine (CID 97166664) is 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine is ClCc1nc2cccnc2n1[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine?
The InChIKey is BQITYXQICRMMBY-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-12-18-22-17-9-4-10-21-19(17)24(18)16-8-5-11-23(14-16)13-15-6-2-1-3-7-15/h1-4,6-7,9-10,16H,5,8,11-14H2/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine?
3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine has a molecular weight of 340.86 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-benzylpiperidin-3-yl]-2-(chloromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 97166664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).