3-bromo-4-(3-methylpiperidin-1-yl)pyridine

C11H15BrN2 — CID 104777988

IUPAC3-bromo-4-(3-methylpiperidin-1-yl)pyridine
SMILESCC1CCCN(c2ccncc2Br)C1
InChIInChI=1S/C11H15BrN2/c1-9-3-2-6-14(8-9)11-4-5-13-7-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyLVBULKPCKMRLQG-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.08
Rot. Bonds1

About 3-bromo-4-(3-methylpiperidin-1-yl)pyridine

3-bromo-4-(3-methylpiperidin-1-yl)pyridine (PubChem CID 104777988) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 3-bromo-4-(3-methylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(3-methylpiperidin-1-yl)pyridine
PubChem CID104777988
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name3-bromo-4-(3-methylpiperidin-1-yl)pyridine
SMILESCC1CCCN(c2ccncc2Br)C1
InChIInChI=1S/C11H15BrN2/c1-9-3-2-6-14(8-9)11-4-5-13-7-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyLVBULKPCKMRLQG-UHFFFAOYSA-N
XLogP3.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-[3-(bromomethyl)piperidin-1-yl]pyridine
CID 104779490
3-bromo-4-(4-chloro-3-methylpiperidin-1-yl)pyridine
CID 114682648
(3S)-1-(3-bromo-4-pyridinyl)-3-methylpiperazine
CID 104977557
1-(3-bromo-4-pyridinyl)-N,N-dimethylazepan-4-amine
CID 163374943
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
3-(3-methylpiperidin-1-yl)pyridine-4-carbothioamide
CID 114288015
3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 175211299
3-(3-methylpiperidin-1-yl)pyridine
CID 139386622
1-(3-bromo-4-pyridinyl)piperidin-4-ol
CID 104777750
3-bromo-4-(2,4-dimethylpiperidin-1-yl)pyridine
CID 104778409
3-bromo-4-(4-methoxypiperidin-1-yl)pyridine
CID 104778046
1-[1-(3-bromo-4-pyridinyl)azetidin-3-yl]-N-methylmethanamine
CID 131209516

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-methylpiperidin-1-yl)pyridine?
The IUPAC name of 3-bromo-4-(3-methylpiperidin-1-yl)pyridine (CID 104777988) is 3-bromo-4-(3-methylpiperidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-4-(3-methylpiperidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-4-(3-methylpiperidin-1-yl)pyridine is CC1CCCN(c2ccncc2Br)C1.
What is the InChIKey of 3-bromo-4-(3-methylpiperidin-1-yl)pyridine?
The InChIKey is LVBULKPCKMRLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c1-9-3-2-6-14(8-9)11-4-5-13-7-10(11)12/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 3-bromo-4-(3-methylpiperidin-1-yl)pyridine?
3-bromo-4-(3-methylpiperidin-1-yl)pyridine has a molecular weight of 255.16 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-methylpiperidin-1-yl)pyridine is sourced from PubChem (CID 104777988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).