4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine

C17H28N4 — CID 83010441

IUPAC4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
SMILESCN1CCN(NC2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C17H28N4/c1-19-11-13-21(14-12-19)18-17-8-10-20(15-17)9-7-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyXGSPCOGXNLHKDK-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.06
Rot. Bonds5

About 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine

4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine (PubChem CID 83010441) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
PubChem CID83010441
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine
SMILESCN1CCN(NC2CCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C17H28N4/c1-19-11-13-21(14-12-19)18-17-8-10-20(15-17)9-7-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3
InChIKeyXGSPCOGXNLHKDK-UHFFFAOYSA-N
XLogP1.06
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1-(2-phenylethyl)-N-pyrrol-1-ylpiperidin-4-amine
CID 13306762
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
1-(2-phenylethyl)-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidin-3-amine
CID 106210405
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
N-(1-benzylpyrrolidin-3-yl)morpholin-4-amine
CID 83009614
N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61212133
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine?
The IUPAC name of 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine (CID 83010441) is 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine.
What is the SMILES notation for 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine?
The canonical SMILES for 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine is CN1CCN(NC2CCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine?
The InChIKey is XGSPCOGXNLHKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-19-11-13-21(14-12-19)18-17-8-10-20(15-17)9-7-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3.
What are the key properties of 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine?
4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine has a molecular weight of 288.44 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]piperazin-1-amine is sourced from PubChem (CID 83010441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).