1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride

C14H27Cl2N3 — CID 171281897

IUPAC1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride
SMILESCl.Cl.Cn1cccc1[C@@H](N1CCNCC1)C(C)(C)C
InChIInChI=1S/C14H25N3.2ClH/c1-14(2,3)13(12-6-5-9-16(12)4)17-10-7-15-8-11-17;;/h5-6,9,13,15H,7-8,10-11H2,1-4H3;2*1H/t13-;;/m1../s1
InChIKeyAQWASRUJWAQIIJ-FFXKMJQXSA-N
MW308.30 g/mol
LogP2.86
Rot. Bonds2

About 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride

1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride (PubChem CID 171281897) has the molecular formula C14H27Cl2N3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride
PubChem CID171281897
Molecular FormulaC14H27Cl2N3
Molecular Weight308.30 g/mol
Exact Mass307.16
IUPAC Name1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride
SMILESCl.Cl.Cn1cccc1[C@@H](N1CCNCC1)C(C)(C)C
InChIInChI=1S/C14H25N3.2ClH/c1-14(2,3)13(12-6-5-9-16(12)4)17-10-7-15-8-11-17;;/h5-6,9,13,15H,7-8,10-11H2,1-4H3;2*1H/t13-;;/m1../s1
InChIKeyAQWASRUJWAQIIJ-FFXKMJQXSA-N
XLogP2.86
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
CID 171281879
1-[(1S)-2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine
CID 171294498
1-[(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethyl]piperazine;dihydrochloride
CID 171281880
1-[(1S)-1-(2-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273226
1-[(1S)-1-(2,6-dimethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171274848
1-[(1S)-1-(furan-3-yl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171281692
1-[(1R)-1-(3-chlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171286243
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171289935
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
1-[(1S)-1-(3-bromophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171273335
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
1-[(1R)-2,2-dimethyl-1-[2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171170430

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride (CID 171281897) is 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride is Cl.Cl.Cn1cccc1[C@@H](N1CCNCC1)C(C)(C)C.
What is the InChIKey of 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride?
The InChIKey is AQWASRUJWAQIIJ-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H25N3.2ClH/c1-14(2,3)13(12-6-5-9-16(12)4)17-10-7-15-8-11-17;;/h5-6,9,13,15H,7-8,10-11H2,1-4H3;2*1H/t13-;;/m1../s1.
What are the key properties of 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride?
1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride has a molecular weight of 308.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-dimethyl-1-(1-methylpyrrol-2-yl)propyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).