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

C14H22BrN3 — CID 62281889

IUPAC1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCCC1CCCN(c2ncc(Br)cc2CNC)C1
InChIInChI=1S/C14H22BrN3/c1-3-11-5-4-6-18(10-11)14-12(8-16-2)7-13(15)9-17-14/h7,9,11,16H,3-6,8,10H2,1-2H3
InChIKeyOLWVOVYLGCYAOB-UHFFFAOYSA-N
MW312.26 g/mol
LogP3.19
Rot. Bonds4

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

1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 62281889) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID62281889
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCCC1CCCN(c2ncc(Br)cc2CNC)C1
InChIInChI=1S/C14H22BrN3/c1-3-11-5-4-6-18(10-11)14-12(8-16-2)7-13(15)9-17-14/h7,9,11,16H,3-6,8,10H2,1-2H3
InChIKeyOLWVOVYLGCYAOB-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285485
1-[5-bromo-2-(4-propylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 55054505
1-[5-bromo-3-(methylaminomethyl)-2-pyridinyl]-N,N-diethylpyrrolidin-3-amine
CID 63169019
1-[5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 102967673
[5-bromo-2-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methanol
CID 106588323
N-[[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62287831
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79719028
N-[[5-bromo-2-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]methyl]propan-1-amine
CID 64581795
1-[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62751639
1-[5-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 107395388
[5-bromo-2-(4-ethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62285532
5-(bromomethyl)-2-(3-ethylpiperidin-1-yl)-3-methylpyridine
CID 107080495

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 62281889) is 1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is CCC1CCCN(c2ncc(Br)cc2CNC)C1.
What is the InChIKey of 1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is OLWVOVYLGCYAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-3-11-5-4-6-18(10-11)14-12(8-16-2)7-13(15)9-17-14/h7,9,11,16H,3-6,8,10H2,1-2H3.
What are the key properties of 1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 312.26 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(3-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62281889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).