1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine

C17H27BrN2 — CID 82968790

IUPAC1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCCCC1CCN(c2cc(Br)ccc2C(C)NC)CC1
InChIInChI=1S/C17H27BrN2/c1-4-5-14-8-10-20(11-9-14)17-12-15(18)6-7-16(17)13(2)19-3/h6-7,12-14,19H,4-5,8-11H2,1-3H3
InChIKeyAQKLPGHBMVDFCL-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.75
Rot. Bonds5

About 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine

1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine (PubChem CID 82968790) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
PubChem CID82968790
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC Name1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
SMILESCCCC1CCN(c2cc(Br)ccc2C(C)NC)CC1
InChIInChI=1S/C17H27BrN2/c1-4-5-14-8-10-20(11-9-14)17-12-15(18)6-7-16(17)13(2)19-3/h6-7,12-14,19H,4-5,8-11H2,1-3H3
InChIKeyAQKLPGHBMVDFCL-UHFFFAOYSA-N
XLogP4.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylethanamine
CID 82968737
1-[4-bromo-2-(4-methylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 82972089
1-[4-bromo-2-(4-propan-2-ylazepan-1-yl)phenyl]-N-methylethanamine
CID 82956637
1-(4-bromo-2-thiomorpholin-4-ylphenyl)-N-methylethanamine
CID 82972103
[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 82972414
2-[1-(methylamino)ethyl]-5-(4-propylazepan-1-yl)phenol
CID 79591465
2-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]ethanamine
CID 63782755
1-[2-fluoro-6-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine
CID 62199086
1-[4-bromo-2-(3,3,4-trimethylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 82968171
1-[4-bromo-2-(3-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 82972044
[1-[2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 43284506
2-[1-[4-bromo-2-[1-(methylamino)ethyl]phenyl]piperidin-4-yl]oxyethanol
CID 82955668

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine (CID 82968790) is 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine is CCCC1CCN(c2cc(Br)ccc2C(C)NC)CC1.
What is the InChIKey of 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine?
The InChIKey is AQKLPGHBMVDFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-4-5-14-8-10-20(11-9-14)17-12-15(18)6-7-16(17)13(2)19-3/h6-7,12-14,19H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine?
1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine has a molecular weight of 339.32 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(4-propylpiperidin-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82968790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).