(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine

C15H25N3 — CID 103958918

IUPAC(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1N1CCN(C)C(C)C1
InChIInChI=1S/C15H25N3/c1-4-14(16)13-7-5-6-8-15(13)18-10-9-17(3)12(2)11-18/h5-8,12,14H,4,9-11,16H2,1-3H3/t12?,14-/m0/s1
InChIKeyBSKVYPWMPZHDNC-PYMCNQPYSA-N
MW247.39 g/mol
LogP2.24
Rot. Bonds3

About (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine

(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine (PubChem CID 103958918) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
PubChem CID103958918
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1N1CCN(C)C(C)C1
InChIInChI=1S/C15H25N3/c1-4-14(16)13-7-5-6-8-15(13)18-10-9-17(3)12(2)11-18/h5-8,12,14H,4,9-11,16H2,1-3H3/t12?,14-/m0/s1
InChIKeyBSKVYPWMPZHDNC-PYMCNQPYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine
CID 63794140
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]ethanol
CID 63610426
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
1-[2-(4-ethylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677803
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959029
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine (CID 103958918) is (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine is CC[C@H](N)c1ccccc1N1CCN(C)C(C)C1.
What is the InChIKey of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine?
The InChIKey is BSKVYPWMPZHDNC-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-14(16)13-7-5-6-8-15(13)18-10-9-17(3)12(2)11-18/h5-8,12,14H,4,9-11,16H2,1-3H3/t12?,14-/m0/s1.
What are the key properties of (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine?
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 103958918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).