(2S)-2-[(4-bromophenyl)methyl]piperazine

C11H15BrN2 — CID 69489620

IUPAC(2S)-2-[(4-bromophenyl)methyl]piperazine
SMILESBrc1ccc(C[C@H]2CNCCN2)cc1
InChIInChI=1S/C11H15BrN2/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13-14H,5-8H2/t11-/m0/s1
InChIKeyWOAKWISTZANOJZ-NSHDSACASA-N
MW255.16 g/mol
LogP1.55
Rot. Bonds2

About (2S)-2-[(4-bromophenyl)methyl]piperazine

(2S)-2-[(4-bromophenyl)methyl]piperazine (PubChem CID 69489620) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is (2S)-2-[(4-bromophenyl)methyl]piperazine.

Molecular Properties

Compound Name(2S)-2-[(4-bromophenyl)methyl]piperazine
PubChem CID69489620
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name(2S)-2-[(4-bromophenyl)methyl]piperazine
SMILESBrc1ccc(C[C@H]2CNCCN2)cc1
InChIInChI=1S/C11H15BrN2/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13-14H,5-8H2/t11-/m0/s1
InChIKeyWOAKWISTZANOJZ-NSHDSACASA-N
XLogP1.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 174210894
4-(1,4,7,10,13,16-hexazacyclooctadec-2-ylmethyl)aniline
CID 139968432
2-[[4-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 140514504
N-hydroxy-4-[[(2S)-piperazin-2-yl]methyl]benzeneamine oxide
CID 163157527
4-[[(2R)-piperazin-2-yl]methyl]benzenesulfonamide
CID 68665120
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 116825316
2-benzyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese
CID 59891255
2-[(5-bromo-2-fluorophenyl)methyl]piperazine
CID 116825334
5-bromo-3-(piperazin-2-ylmethyl)-1H-indole
CID 84644063
(2S)-2-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane
CID 15386758
(2S)-2-benzyl-1,4-diazocane
CID 101486734
2-methyl-5-(piperazin-2-ylmethyl)phenol
CID 22342761

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-bromophenyl)methyl]piperazine?
The IUPAC name of (2S)-2-[(4-bromophenyl)methyl]piperazine (CID 69489620) is (2S)-2-[(4-bromophenyl)methyl]piperazine.
What is the SMILES notation for (2S)-2-[(4-bromophenyl)methyl]piperazine?
The canonical SMILES for (2S)-2-[(4-bromophenyl)methyl]piperazine is Brc1ccc(C[C@H]2CNCCN2)cc1.
What is the InChIKey of (2S)-2-[(4-bromophenyl)methyl]piperazine?
The InChIKey is WOAKWISTZANOJZ-NSHDSACASA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-3-1-9(2-4-10)7-11-8-13-5-6-14-11/h1-4,11,13-14H,5-8H2/t11-/m0/s1.
What are the key properties of (2S)-2-[(4-bromophenyl)methyl]piperazine?
(2S)-2-[(4-bromophenyl)methyl]piperazine has a molecular weight of 255.16 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-bromophenyl)methyl]piperazine is sourced from PubChem (CID 69489620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).