1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

C14H22BrN3O — CID 102967673

IUPAC1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1N1CCC(C)C(OC)C1
InChIInChI=1S/C14H22BrN3O/c1-10-4-5-18(9-13(10)19-3)14-11(7-16-2)6-12(15)8-17-14/h6,8,10,13,16H,4-5,7,9H2,1-3H3
InChIKeyNAJNAASHUSZSNU-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.42
Rot. Bonds4

About 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 102967673) has the molecular formula C14H22BrN3O and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID102967673
Molecular FormulaC14H22BrN3O
Molecular Weight328.25 g/mol
Exact Mass327.09
IUPAC Name1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cnc1N1CCC(C)C(OC)C1
InChIInChI=1S/C14H22BrN3O/c1-10-4-5-18(9-13(10)19-3)14-11(7-16-2)6-12(15)8-17-14/h6,8,10,13,16H,4-5,7,9H2,1-3H3
InChIKeyNAJNAASHUSZSNU-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-bromo-2-(3,4-dimethoxypyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 103539574
1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63169019
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62281889
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102961289
1-[5-bromo-2-(2,3,5-trimethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 114596924
N-[[5-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 64581795
N-[[5-bromo-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62284209
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 107395388
1-[2-(3-methoxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 102961210
[5-bromo-2-(3-methoxypiperidin-1-yl)-3-pyridinyl]methanamine
CID 102967838
1-[6-(3-methoxy-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 102961269

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 102967673) is 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1cc(Br)cnc1N1CCC(C)C(OC)C1.
What is the InChIKey of 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is NAJNAASHUSZSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O/c1-10-4-5-18(9-13(10)19-3)14-11(7-16-2)6-12(15)8-17-14/h6,8,10,13,16H,4-5,7,9H2,1-3H3.
What are the key properties of 1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 328.25 g/mol, XLogP of 2.42, 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-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 102967673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).