2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine

C15H32N4 — CID 117025050

IUPAC2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(N2CCNCC2)C(C)(C)C1
InChIInChI=1S/C15H32N4/c1-15(2)13-18(12-11-17(3)4)8-5-14(15)19-9-6-16-7-10-19/h14,16H,5-13H2,1-4H3
InChIKeyPTZXLSLSWVABLE-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.55
Rot. Bonds4

About 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine

2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine (PubChem CID 117025050) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine
PubChem CID117025050
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(N2CCNCC2)C(C)(C)C1
InChIInChI=1S/C15H32N4/c1-15(2)13-18(12-11-17(3)4)8-5-14(15)19-9-6-16-7-10-19/h14,16H,5-13H2,1-4H3
InChIKeyPTZXLSLSWVABLE-UHFFFAOYSA-N
XLogP0.55
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3-dimethyl-1-prop-2-enylpiperidin-4-yl)piperazine
CID 117025043
2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
CID 117024844
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539
cyclopropyl-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)methanone
CID 115269801
2-(3,3-dimethyl-1,5-diazocan-1-yl)-N,N-dimethylethanamine
CID 117014513
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile
CID 117024502
N,N-dimethyl-2-[4-(2-piperidin-4-ylsulfanylethyl)piperazin-1-yl]ethanamine
CID 114628566
1-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)piperazine
CID 117017868
2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024633
3-(3-cyclopropyl-3-methylpiperazin-1-yl)-N,N-dimethylpropan-1-amine
CID 64924654
N,N,N'-trimethyl-N'-(2-piperazin-1-ylethyl)propane-1,3-diamine
CID 63695224

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine (CID 117025050) is 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine is CN(C)CCN1CCC(N2CCNCC2)C(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine?
The InChIKey is PTZXLSLSWVABLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-15(2)13-18(12-11-17(3)4)8-5-14(15)19-9-6-16-7-10-19/h14,16H,5-13H2,1-4H3.
What are the key properties of 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine?
2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine has a molecular weight of 268.45 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 117025050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).