N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine

C12H27N3 — CID 174938739

IUPACN-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)N1CCNCC1
InChIInChI=1S/C12H27N3/c1-10(2)15(11(3)4)12(5)14-8-6-13-7-9-14/h10-13H,6-9H2,1-5H3
InChIKeyBSRXUGHQKWJJPA-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.36
Rot. Bonds4

About N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine

N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 174938739) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine
PubChem CID174938739
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(C(C)C)C(C)N1CCNCC1
InChIInChI=1S/C12H27N3/c1-10(2)15(11(3)4)12(5)14-8-6-13-7-9-14/h10-13H,6-9H2,1-5H3
InChIKeyBSRXUGHQKWJJPA-UHFFFAOYSA-N
XLogP1.36
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethylpropan-2-amine;1-propan-2-ylpiperazine
CID 160682152
1-propan-2-ylpiperazine;vanadium
CID 162375922
1-(1-methylsulfonylethyl)piperazine
CID 117037867
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
N-(1-piperazin-1-ylethyl)formamide
CID 87225423
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157479144
1-(1-iodopropan-2-yl)piperazine
CID 69349965
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
2-(1-piperazin-1-ylethyl)-1,4,5,6-tetrahydropyrimidine
CID 126997137
1-[(Z)-pent-3-en-2-yl]piperazine
CID 70169405
1-[1-(azetidin-3-yl)ethyl]piperazine
CID 173074477

Frequently Asked Questions

What is the IUPAC name of N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine (CID 174938739) is N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(C(C)C)C(C)N1CCNCC1.
What is the InChIKey of N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is BSRXUGHQKWJJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-10(2)15(11(3)4)12(5)14-8-6-13-7-9-14/h10-13H,6-9H2,1-5H3.
What are the key properties of N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine?
N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 213.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperazin-1-ylethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 174938739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).