4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine

C13H15ClN2O — CID 106535762

IUPAC4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine
SMILESCC1CCN(c2nccc3occc23)CC1Cl
InChIInChI=1S/C13H15ClN2O/c1-9-3-6-16(8-11(9)14)13-10-4-7-17-12(10)2-5-15-13/h2,4-5,7,9,11H,3,6,8H2,1H3
InChIKeyVUCJUPJOTXAJSV-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.28
Rot. Bonds1

About 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine

4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine (PubChem CID 106535762) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine
PubChem CID106535762
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine
SMILESCC1CCN(c2nccc3occc23)CC1Cl
InChIInChI=1S/C13H15ClN2O/c1-9-3-6-16(8-11(9)14)13-10-4-7-17-12(10)2-5-15-13/h2,4-5,7,9,11H,3,6,8H2,1H3
InChIKeyVUCJUPJOTXAJSV-UHFFFAOYSA-N
XLogP3.28
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-furo[3,2-c]pyridin-4-ylpyrrolidin-3-amine
CID 129414537
4-[3-(chloromethyl)pyrrolidin-1-yl]furo[3,2-c]pyridine
CID 106535647
1-furo[3,2-c]pyridin-4-yl-N-methylpyrrolidin-3-amine
CID 106535363
4-(3-bromopyrrolidin-1-yl)furo[3,2-c]pyridine
CID 106535691
4-[(3R)-3-methylpiperazin-1-yl]furo[3,2-c]pyridine
CID 106535397
4-(2,6-dimethylmorpholin-4-yl)furo[3,2-c]pyridine
CID 123630821
4-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 97120477
methyl 1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-carboxylate
CID 103702822
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)furo[3,2-c]pyridine
CID 121185299
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)acetamide
CID 171328135
4-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]furo[3,2-c]pyridine
CID 138039104
(3R)-N-ethyl-1-furo[3,2-c]pyridin-4-ylpyrrolidine-3-sulfonamide
CID 97158066

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine?
The IUPAC name of 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine (CID 106535762) is 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine.
What is the SMILES notation for 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine?
The canonical SMILES for 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine is CC1CCN(c2nccc3occc23)CC1Cl.
What is the InChIKey of 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine?
The InChIKey is VUCJUPJOTXAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-9-3-6-16(8-11(9)14)13-10-4-7-17-12(10)2-5-15-13/h2,4-5,7,9,11H,3,6,8H2,1H3.
What are the key properties of 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine?
4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine has a molecular weight of 250.73 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylpiperidin-1-yl)furo[3,2-c]pyridine is sourced from PubChem (CID 106535762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).