1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine

C52H108N12 — CID 167650210

IUPAC1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CC(N2CCN(C)CC2)C1.CC(C)N1CC2(CCN(C)CC2)C1.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CN(C)C2)CC1
InChIInChI=1S/2C11H23N3.2C11H22N2.C8H18N2/c1-10(2)13-4-6-14(7-5-13)11-8-12(3)9-11;1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-10(2)13-8-11(9-13)4-6-12(3)7-5-11;1-8(2)10-6-4-9(3)5-7-10/h2*10-11H,4-9H2,1-3H3;2*10H,4-9H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyQLTGPEAEHKXTDF-UHFFFAOYSA-N
MW901.52 g/mol
LogP4.14
Rot. Bonds7

About 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine

1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine (PubChem CID 167650210) has the molecular formula C52H108N12 and a molecular weight of 901.52 g/mol. Its IUPAC name is 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine
PubChem CID167650210
Molecular FormulaC52H108N12
Molecular Weight901.52 g/mol
Exact Mass900.88
IUPAC Name1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine
SMILESCC(C)N1CC(N2CCN(C)CC2)C1.CC(C)N1CC2(CCN(C)CC2)C1.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CN(C)C2)CC1
InChIInChI=1S/2C11H23N3.2C11H22N2.C8H18N2/c1-10(2)13-4-6-14(7-5-13)11-8-12(3)9-11;1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-10(2)13-8-11(9-13)4-6-12(3)7-5-11;1-8(2)10-6-4-9(3)5-7-10/h2*10-11H,4-9H2,1-3H3;2*10H,4-9H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyQLTGPEAEHKXTDF-UHFFFAOYSA-N
XLogP4.14
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine?
The IUPAC name of 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine (CID 167650210) is 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine is CC(C)N1CC(N2CCN(C)CC2)C1.CC(C)N1CC2(CCN(C)CC2)C1.CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CN(C)C2)CC1.
What is the InChIKey of 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine?
The InChIKey is QLTGPEAEHKXTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H23N3.2C11H22N2.C8H18N2/c1-10(2)13-4-6-14(7-5-13)11-8-12(3)9-11;1-10(2)14-8-11(9-14)13-6-4-12(3)5-7-13;1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-10(2)13-8-11(9-13)4-6-12(3)7-5-11;1-8(2)10-6-4-9(3)5-7-10/h2*10-11H,4-9H2,1-3H3;2*10H,4-9H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine?
1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine has a molecular weight of 901.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylazetidin-3-yl)-4-propan-2-ylpiperazine;1-methyl-4-(1-propan-2-ylazetidin-3-yl)piperazine;2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;1-methyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 167650210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).