1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine

C18H22BrN3 — CID 166601534

IUPAC1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ncccc1CN1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C18H22BrN3/c1-15-16(6-4-8-20-15)13-21-9-11-22(12-10-21)14-17-5-2-3-7-18(17)19/h2-8H,9-14H2,1H3
InChIKeyHFTLEFWWDUUDPN-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.47
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine

1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 166601534) has the molecular formula C18H22BrN3 and a molecular weight of 360.30 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
PubChem CID166601534
Molecular FormulaC18H22BrN3
Molecular Weight360.30 g/mol
Exact Mass359.10
IUPAC Name1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1ncccc1CN1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C18H22BrN3/c1-15-16(6-4-8-20-15)13-21-9-11-22(12-10-21)14-17-5-2-3-7-18(17)19/h2-8H,9-14H2,1H3
InChIKeyHFTLEFWWDUUDPN-UHFFFAOYSA-N
XLogP3.47
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 71302088
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031869
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
5-chloro-2-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 166600720
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 55023776
4-methoxy-6-[4-[(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171130683
propan-2-yl 2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 53340242
ethyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
CID 782501
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 19331879
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328729

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine (CID 166601534) is 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine is Cc1ncccc1CN1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is HFTLEFWWDUUDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3/c1-15-16(6-4-8-20-15)13-21-9-11-22(12-10-21)14-17-5-2-3-7-18(17)19/h2-8H,9-14H2,1H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine?
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 360.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 166601534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).