1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

C14H22BrN3O — CID 107395388

IUPAC1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1N1CCCC(C)(OC)C1
InChIInChI=1S/C14H22BrN3O/c1-14(19-3)5-4-6-18(10-14)13-11(8-16-2)7-12(15)9-17-13/h7,9,16H,4-6,8,10H2,1-3H3
InChIKeySAPMYUHSSZFTCO-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.57
Rot. Bonds4

About 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 107395388) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID107395388
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1N1CCCC(C)(OC)C1
InChIInChI=1S/C14H22BrN3O/c1-14(19-3)5-4-6-18(10-14)13-11(8-16-2)7-12(15)9-17-13/h7,9,16H,4-6,8,10H2,1-3H3
InChIKeySAPMYUHSSZFTCO-UHFFFAOYSA-N
XLogP2.57
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394464
5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 107393029
1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62281889
N-[[5-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 107395309
5-bromo-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 114072876
1-[2-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 107395291
1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102967673
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
5-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridin-3-amine
CID 107390515
5-ethyl-6-(3-methoxy-3-methylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 107396356
N-[(5-bromo-2-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62285747
1-[6-(3-methoxy-3-methylpiperidin-1-yl)pyridazin-3-yl]-N-methylmethanamine
CID 107395284

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 107395388) is 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1N1CCCC(C)(OC)C1.
What is the InChIKey of 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is SAPMYUHSSZFTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-14(19-3)5-4-6-18(10-14)13-11(8-16-2)7-12(15)9-17-13/h7,9,16H,4-6,8,10H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 328.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 107395388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).