4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine

C17H20BrN3O — CID 155974715

IUPAC4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine
SMILESCc1cnccc1OCC1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C17H20BrN3O/c1-13-10-19-7-4-16(13)22-12-14-5-8-21(9-6-14)17-3-2-15(18)11-20-17/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3
InChIKeyAECRBSYIPBJEAK-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.84
Rot. Bonds4

About 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine

4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine (PubChem CID 155974715) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine.

Molecular Properties

Compound Name4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine
PubChem CID155974715
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine
SMILESCc1cnccc1OCC1CCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C17H20BrN3O/c1-13-10-19-7-4-16(13)22-12-14-5-8-21(9-6-14)17-3-2-15(18)11-20-17/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3
InChIKeyAECRBSYIPBJEAK-UHFFFAOYSA-N
XLogP3.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine
CID 163343998
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
CID 154582386
4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 155974905
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 155800726
5-[[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 163348061
methyl 3-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 71077920
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
CID 166601537
2-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]-5-pyridin-4-ylpyridine
CID 154781851
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine?
The IUPAC name of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine (CID 155974715) is 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine.
What is the SMILES notation for 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine?
The canonical SMILES for 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine is Cc1cnccc1OCC1CCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine?
The InChIKey is AECRBSYIPBJEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-13-10-19-7-4-16(13)22-12-14-5-8-21(9-6-14)17-3-2-15(18)11-20-17/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3.
What are the key properties of 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine?
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine has a molecular weight of 362.27 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine is sourced from PubChem (CID 155974715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).