1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine

C15H31N3 — CID 170629653

IUPAC1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
SMILESCC(C)N1CCC(C(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)17-7-5-15(6-8-17)14(3)18-11-9-16(4)10-12-18/h13-15H,5-12H2,1-4H3
InChIKeyILXHEGJUZHLQML-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.74
Rot. Bonds3

About 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine

1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine (PubChem CID 170629653) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
PubChem CID170629653
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
SMILESCC(C)N1CCC(C(C)N2CCN(C)CC2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)17-7-5-15(6-8-17)14(3)18-11-9-16(4)10-12-18/h13-15H,5-12H2,1-4H3
InChIKeyILXHEGJUZHLQML-UHFFFAOYSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(1-ethylpiperidin-4-yl)ethyl]-4-methylpiperazine
CID 170281150
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1,4-di(propan-2-yl)piperidine
CID 21303253
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine
CID 170617106
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
2,5-di(propan-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;1,4-di(propan-2-yl)piperazine;bis(1,4-di(propan-2-yl)piperidine);methane
CID 159687749
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The IUPAC name of 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine (CID 170629653) is 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The canonical SMILES for 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine is CC(C)N1CCC(C(C)N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
The InChIKey is ILXHEGJUZHLQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)17-7-5-15(6-8-17)14(3)18-11-9-16(4)10-12-18/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine?
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine has a molecular weight of 253.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine is sourced from PubChem (CID 170629653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).