1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine

C18H27BrN2 — CID 64953710

IUPAC1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine
SMILESCC(c1cccc(Br)c1)N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C18H27BrN2/c1-14(16-8-5-9-17(19)12-16)21-11-10-20-18(13-21)15-6-3-2-4-7-15/h5,8-9,12,14-15,18,20H,2-4,6-7,10-11,13H2,1H3
InChIKeyYGQOSCOAJJQLJA-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.36
Rot. Bonds3

About 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine

1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine (PubChem CID 64953710) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine
PubChem CID64953710
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine
SMILESCC(c1cccc(Br)c1)N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C18H27BrN2/c1-14(16-8-5-9-17(19)12-16)21-11-10-20-18(13-21)15-6-3-2-4-7-15/h5,8-9,12,14-15,18,20H,2-4,6-7,10-11,13H2,1H3
InChIKeyYGQOSCOAJJQLJA-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
CID 64953111
3-cyclohexyl-1-(1-thiophen-2-ylethyl)-1,4-diazepane
CID 64944577
(4aR,7aR)-6-[(1S)-1-phenylethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 66771891
4-[1-(3-bromophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64953315
(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine
CID 68931032
6-[1-(3,4-dimethylphenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678696
(4aS,7aS)-6-[1-(3-nitrophenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678797
1-(3-bromo-2-methylphenyl)-3-cyclohexylpiperazine
CID 107639855
1-[1-[1-(3-bromophenyl)ethyl]piperidin-4-yl]ethanamine
CID 63595473
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
CID 64953713
1-[1-(3-bromophenyl)ethyl]-4-methylpyrrolidin-3-amine
CID 103575101

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine?
The IUPAC name of 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine (CID 64953710) is 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine.
What is the SMILES notation for 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine?
The canonical SMILES for 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine is CC(c1cccc(Br)c1)N1CCNC(C2CCCCC2)C1.
What is the InChIKey of 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine?
The InChIKey is YGQOSCOAJJQLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-14(16-8-5-9-17(19)12-16)21-11-10-20-18(13-21)15-6-3-2-4-7-15/h5,8-9,12,14-15,18,20H,2-4,6-7,10-11,13H2,1H3.
What are the key properties of 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine?
1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine has a molecular weight of 351.33 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine is sourced from PubChem (CID 64953710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).