1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine

C14H19BrN2O — CID 176829552

IUPAC1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine
SMILESCC1(N2CCN(c3ccc(Br)cc3)CC2)COC1
InChIInChI=1S/C14H19BrN2O/c1-14(10-18-11-14)17-8-6-16(7-9-17)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3
InChIKeyLTBVPEFZKPYQQN-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.36
Rot. Bonds2

About 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine

1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine (PubChem CID 176829552) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine
PubChem CID176829552
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine
SMILESCC1(N2CCN(c3ccc(Br)cc3)CC2)COC1
InChIInChI=1S/C14H19BrN2O/c1-14(10-18-11-14)17-8-6-16(7-9-17)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3
InChIKeyLTBVPEFZKPYQQN-UHFFFAOYSA-N
XLogP2.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Bromophenyl)morpholine
CID 11622851
[4-(4-Bromophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 73671439
4-(3-Bromophenyl)morpholine
CID 4961268
1-(4-Bromophenyl)-4-methylpiperazine
CID 11817675
4-(4-Bromophenyl)-1,1-diethylpiperazin-1-ium iodide
CID 127039018
4-(2-Bromophenyl)morpholine
CID 5325729
4-(3-Bromophenyl)morpholine hydrochloride
CID 46739823
1-(4-Bromophenyl)-4-methylpiperazine hydrochloride
CID 73554329
N-Ethyl-N-(beta-hydroxyethyl)-4-bromoaniline
CID 18941473
2-[4-bromo-N-(2-butoxyethyl)anilino]acetonitrile
CID 72102242
4-(4-Bromo-2-fluorophenyl)morpholine
CID 11379929
4-(4-Bromo-3-fluorophenyl)morpholine
CID 21995834

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine?
The IUPAC name of 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine (CID 176829552) is 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine.
What is the SMILES notation for 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine?
The canonical SMILES for 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine is CC1(N2CCN(c3ccc(Br)cc3)CC2)COC1.
What is the InChIKey of 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine?
The InChIKey is LTBVPEFZKPYQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-14(10-18-11-14)17-8-6-16(7-9-17)13-4-2-12(15)3-5-13/h2-5H,6-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine?
1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine has a molecular weight of 311.22 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(3-methyloxetan-3-yl)piperazine is sourced from PubChem (CID 176829552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).