1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine

C25H52N6 — CID 156836053

IUPAC1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C13H27N3.C12H25N3/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11(2)14-7-3-12(4-8-14)15-9-5-13-6-10-15/h12-13H,4-11H2,1-3H3;11-13H,3-10H2,1-2H3
InChIKeyJFZHNHDMLXRERK-UHFFFAOYSA-N
MW436.73 g/mol
LogP1.87
Rot. Bonds4

About 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine

1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine (PubChem CID 156836053) has the molecular formula C25H52N6 and a molecular weight of 436.73 g/mol. Its IUPAC name is 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine
PubChem CID156836053
Molecular FormulaC25H52N6
Molecular Weight436.73 g/mol
Exact Mass436.43
IUPAC Name1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(N2CCNCC2)CC1
InChIInChI=1S/C13H27N3.C12H25N3/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11(2)14-7-3-12(4-8-14)15-9-5-13-6-10-15/h12-13H,4-11H2,1-3H3;11-13H,3-10H2,1-2H3
InChIKeyJFZHNHDMLXRERK-UHFFFAOYSA-N
XLogP1.87
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine with MolForge

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Related Compounds

4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane
CID 66203370
7,7-dideuterio-1-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane
CID 118887208
1-methyl-4-piperidin-4-ylpiperazine;hydrochloride
CID 45074780
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856
4-(4-propan-2-ylpiperazin-1-yl)azepane
CID 63903106
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-propan-2-ylpiperazine;vanadium
CID 162375922
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-[(3S)-1-methylpyrrolidin-3-yl]piperazine
CID 94910735
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine (CID 156836053) is 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine is CC(C)N1CCC(N2CCN(C)CC2)CC1.CC(C)N1CCC(N2CCNCC2)CC1.
What is the InChIKey of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine?
The InChIKey is JFZHNHDMLXRERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C12H25N3/c1-12(2)15-6-4-13(5-7-15)16-10-8-14(3)9-11-16;1-11(2)14-7-3-12(4-8-14)15-9-5-13-6-10-15/h12-13H,4-11H2,1-3H3;11-13H,3-10H2,1-2H3.
What are the key properties of 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine?
1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine has a molecular weight of 436.73 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 156836053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).