(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine

C18H21BrN2 — CID 68931032

IUPAC(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine
SMILESC[C@@H]1CN(C(c2ccccc2)c2cccc(Br)c2)CCN1
InChIInChI=1S/C18H21BrN2/c1-14-13-21(11-10-20-14)18(15-6-3-2-4-7-15)16-8-5-9-17(19)12-16/h2-9,12,14,18,20H,10-11,13H2,1H3/t14-,18?/m1/s1
InChIKeyZEPWGBWPZSAGDR-IKJXHCRLSA-N
MW345.28 g/mol
LogP3.83
Rot. Bonds3

About (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine

(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine (PubChem CID 68931032) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine
PubChem CID68931032
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine
SMILESC[C@@H]1CN(C(c2ccccc2)c2cccc(Br)c2)CCN1
InChIInChI=1S/C18H21BrN2/c1-14-13-21(11-10-20-14)18(15-6-3-2-4-7-15)16-8-5-9-17(19)12-16/h2-9,12,14,18,20H,10-11,13H2,1H3/t14-,18?/m1/s1
InChIKeyZEPWGBWPZSAGDR-IKJXHCRLSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83979771
(3R)-1-benzhydryl-3-methylpiperazine;[bromo(phenyl)methyl]benzene;methane;(2R)-2-methylpiperazine
CID 158734559
1-[(3-bromophenyl)-phenylmethyl]-1,4-diazepane
CID 3457794
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
CID 119924296
1-[bis[4-(difluoromethyl)phenyl]methyl]-3-methylpiperazine
CID 170615246
1-[1-(3-bromophenyl)ethyl]-3-propan-2-ylpiperazine
CID 64953111
1-[bis(4-chlorophenyl)methyl]-3-methylpiperazine;methanol
CID 170615369
1-[(3-bromophenyl)-pyridin-4-ylmethyl]piperazine
CID 3592490
(1S)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol;(1R)-2-methyl-1-[(3R)-3-methylpiperazin-1-yl]-1-phenylpropan-2-ol
CID 158643364
2-[(2R)-4-[(3-bromophenyl)-(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]acetic acid
CID 68931684
1-[1-(3-bromophenyl)ethyl]-3-cyclohexylpiperazine
CID 64953710

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine (CID 68931032) is (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine is C[C@@H]1CN(C(c2ccccc2)c2cccc(Br)c2)CCN1.
What is the InChIKey of (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine?
The InChIKey is ZEPWGBWPZSAGDR-IKJXHCRLSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-14-13-21(11-10-20-14)18(15-6-3-2-4-7-15)16-8-5-9-17(19)12-16/h2-9,12,14,18,20H,10-11,13H2,1H3/t14-,18?/m1/s1.
What are the key properties of (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine?
(3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine has a molecular weight of 345.28 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3-bromophenyl)-phenylmethyl]-3-methylpiperazine is sourced from PubChem (CID 68931032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).