(2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine

C19H22Br2N4 — CID 69283283

IUPAC(2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine
SMILESN[C@H](CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H22Br2N4/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)25(18)12-15(22)11-24-7-5-23-6-8-24/h1-4,9-10,15,23H,5-8,11-12,22H2/t15-/m1/s1
InChIKeyYNZMVOHVKCATSX-OAHLLOKOSA-N
MW466.22 g/mol
LogP3.55
Rot. Bonds4

About (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine

(2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine (PubChem CID 69283283) has the molecular formula C19H22Br2N4 and a molecular weight of 466.22 g/mol. Its IUPAC name is (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine
PubChem CID69283283
Molecular FormulaC19H22Br2N4
Molecular Weight466.22 g/mol
Exact Mass464.02
IUPAC Name(2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine
SMILESN[C@H](CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21
InChIInChI=1S/C19H22Br2N4/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)25(18)12-15(22)11-24-7-5-23-6-8-24/h1-4,9-10,15,23H,5-8,11-12,22H2/t15-/m1/s1
InChIKeyYNZMVOHVKCATSX-OAHLLOKOSA-N
XLogP3.55
TPSA46.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.22
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 981054
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 138107609
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
1-(3,6-difluorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 142425581
(2S)-1-[4-[(2R)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707929
1-(3,6-dichlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride
CID 2729028
(2S)-1-[4-[(2S)-3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
CID 99707925
3-bromo-9-(2-fluoro-3-piperazin-1-ylpropyl)-6-methylcarbazole;1-(3-bromo-6-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-carbazol-9-yl-3-piperazin-1-ylpropan-2-ol;1-(3-chlorocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;1-(3-methylcarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol
CID 158039272
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 69282541
3-[4-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]piperazin-1-yl]propanoic acid
CID 166554678
1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine?
The IUPAC name of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine (CID 69283283) is (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine?
The canonical SMILES for (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine is N[C@H](CN1CCNCC1)Cn1c2ccc(Br)cc2c2cc(Br)ccc21.
What is the InChIKey of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine?
The InChIKey is YNZMVOHVKCATSX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22Br2N4/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)25(18)12-15(22)11-24-7-5-23-6-8-24/h1-4,9-10,15,23H,5-8,11-12,22H2/t15-/m1/s1.
What are the key properties of (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine?
(2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine has a molecular weight of 466.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-amine is sourced from PubChem (CID 69283283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).