1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine

C15H26N4 — CID 55217333

IUPAC1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1ccccn1)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H26N4/c1-12(16)14(13-7-5-6-8-17-13)19-10-9-18(4)15(2,3)11-19/h5-8,12,14H,9-11,16H2,1-4H3
InChIKeySQOSTGSSDKZQAO-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.50
Rot. Bonds3

About 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine

1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine (PubChem CID 55217333) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
PubChem CID55217333
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
SMILESCC(N)C(c1ccccn1)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C15H26N4/c1-12(16)14(13-7-5-6-8-17-13)19-10-9-18(4)15(2,3)11-19/h5-8,12,14H,9-11,16H2,1-4H3
InChIKeySQOSTGSSDKZQAO-UHFFFAOYSA-N
XLogP1.50
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
CID 63604175
2-pyridin-2-yl-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63603481
1-(4-ethyl-4-methylpiperidin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 55166215
1-pyridin-2-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propan-2-amine
CID 63155208
1-(3-methylthiophen-2-yl)-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine
CID 63603317
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
1-(2-amino-1-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 114081775
1-pyridin-2-yl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-2-amine
CID 114489517
1-(2-methyl-1,4-oxazepan-4-yl)-1-pyridin-2-ylpropan-2-amine
CID 55153506
1-(3-propylpyrrolidin-1-yl)-1-pyridin-2-ylpropan-2-amine
CID 113417004
[4-(2-amino-1-pyridin-2-ylpropyl)morpholin-2-yl]methanol
CID 81205655
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine (CID 55217333) is 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine is CC(N)C(c1ccccn1)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
The InChIKey is SQOSTGSSDKZQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(16)14(13-7-5-6-8-17-13)19-10-9-18(4)15(2,3)11-19/h5-8,12,14H,9-11,16H2,1-4H3.
What are the key properties of 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine?
1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-1-(3,3,4-trimethylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 55217333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).