9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine

C21H28N4 — CID 71456231

IUPAC9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine
SMILESC[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)N1
InChIInChI=1S/C21H28N4/c1-15-13-24(14-16(2)23-15)10-5-11-25-20-7-4-3-6-18(20)19-12-17(22)8-9-21(19)25/h3-4,6-9,12,15-16,23H,5,10-11,13-14,22H2,1-2H3/t15-,16-/m0/s1
InChIKeyDAVHXSIZTCBGJE-HOTGVXAUSA-N
MW336.48 g/mol
LogP3.45
Rot. Bonds4

About 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine

9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine (PubChem CID 71456231) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine.

Molecular Properties

Compound Name9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine
PubChem CID71456231
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine
SMILESC[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)N1
InChIInChI=1S/C21H28N4/c1-15-13-24(14-16(2)23-15)10-5-11-25-20-7-4-3-6-18(20)19-12-17(22)8-9-21(19)25/h3-4,6-9,12,15-16,23H,5,10-11,13-14,22H2,1-2H3/t15-,16-/m0/s1
InChIKeyDAVHXSIZTCBGJE-HOTGVXAUSA-N
XLogP3.45
TPSA46.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine?
The IUPAC name of 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine (CID 71456231) is 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine.
What is the SMILES notation for 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine?
The canonical SMILES for 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine is C[C@H]1CN(CCCn2c3ccccc3c3cc(N)ccc32)C[C@H](C)N1.
What is the InChIKey of 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine?
The InChIKey is DAVHXSIZTCBGJE-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H28N4/c1-15-13-24(14-16(2)23-15)10-5-11-25-20-7-4-3-6-18(20)19-12-17(22)8-9-21(19)25/h3-4,6-9,12,15-16,23H,5,10-11,13-14,22H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine?
9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine has a molecular weight of 336.48 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]propyl]carbazol-3-amine is sourced from PubChem (CID 71456231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).