1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine

C16H25BrN2 — CID 62618198

IUPAC1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
SMILESCCNC(CCN1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2/c1-2-18-16(14-6-8-15(17)9-7-14)10-13-19-11-4-3-5-12-19/h6-9,16,18H,2-5,10-13H2,1H3
InChIKeyBOSBADHQTCTFRW-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.98
Rot. Bonds6

About 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine

1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine (PubChem CID 62618198) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
PubChem CID62618198
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
SMILESCCNC(CCN1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2/c1-2-18-16(14-6-8-15(17)9-7-14)10-13-19-11-4-3-5-12-19/h6-9,16,18H,2-5,10-13H2,1H3
InChIKeyBOSBADHQTCTFRW-UHFFFAOYSA-N
XLogP3.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-N-ethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62617347
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
1-[3-(4-bromophenyl)-3-(propylamino)propyl]piperidin-4-ol
CID 62612332
N-ethyl-1-phenyl-3-(1,4-thiazepan-4-yl)propan-1-amine
CID 62612136
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973
1-(4-bromophenyl)-N-ethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 62619080
N-ethyl-1-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62644087
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(4-bromophenyl)-N-ethylpropan-1-amine
CID 62619810
1-(3-bromophenyl)-N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 55094941
1-(4-tert-butylphenyl)-N-ethyl-2-piperidin-1-ylethanamine
CID 63466191
N-ethyl-3-(3-ethylpiperidin-1-yl)-1-(4-fluorophenyl)propan-1-amine
CID 62645008
N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79108467

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine (CID 62618198) is 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine is CCNC(CCN1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine?
The InChIKey is BOSBADHQTCTFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-2-18-16(14-6-8-15(17)9-7-14)10-13-19-11-4-3-5-12-19/h6-9,16,18H,2-5,10-13H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine?
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 62618198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).