1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine

C16H31N3 — CID 142079245

IUPAC1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine
SMILESCC/C=C(/C1CCCN1CCC)N1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-4-7-15(19-13-11-17(3)12-14-19)16-8-6-10-18(16)9-5-2/h7,16H,4-6,8-14H2,1-3H3/b15-7-
InChIKeyVDQSHSXIPSLANB-CHHVJCJISA-N
MW265.44 g/mol
LogP2.40
Rot. Bonds5

About 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine

1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine (PubChem CID 142079245) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine
PubChem CID142079245
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine
SMILESCC/C=C(/C1CCCN1CCC)N1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-4-7-15(19-13-11-17(3)12-14-19)16-8-6-10-18(16)9-5-2/h7,16H,4-6,8-14H2,1-3H3/b15-7-
InChIKeyVDQSHSXIPSLANB-CHHVJCJISA-N
XLogP2.40
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Piperidin-1-ylcyclopent-2-en-1-yl)piperidine
CID 14315932
6-(1,4-difluorobutyl)-2-methyl-3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazine
CID 123867464
1-(6-Pyrrolidin-1-yl-1-cyclohexenyl)-pyrrolidine
CID 14315943
1-[(1S)-2-piperidin-1-ylcyclopent-2-en-1-yl]piperidine
CID 135086432
7-Piperidin-1-yl-1,2,3,5,8,8a-hexahydroindolizine
CID 15275034
7-Piperidin-1-yl-1,2,3,5,6,8a-hexahydroindolizine
CID 101989171
1-(Cyclopenten-1-yl)-4-methylpiperazine
CID 15363491
1,4-Di(cyclohexen-1-yl)-2,5-diethylpiperazine
CID 21547894
1,4-Di(cyclopenten-1-yl)piperazine
CID 21547903
1-Cyclopropyl-4-(4-pyrrolidin-1-ylcyclohex-3-en-1-yl)piperazine
CID 66655869
1-[(1-Methyl-2,3-dihydropyrrol-5-yl)methyl]piperidine
CID 67815611
1-[(3R)-1-methyl-5-methylidenepyrrolidin-3-yl]piperidine
CID 89209704

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine?
The IUPAC name of 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine (CID 142079245) is 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine?
The canonical SMILES for 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine is CC/C=C(/C1CCCN1CCC)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine?
The InChIKey is VDQSHSXIPSLANB-CHHVJCJISA-N. The full InChI is InChI=1S/C16H31N3/c1-4-7-15(19-13-11-17(3)12-14-19)16-8-6-10-18(16)9-5-2/h7,16H,4-6,8-14H2,1-3H3/b15-7-.
What are the key properties of 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine?
1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine has a molecular weight of 265.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-1-(1-propylpyrrolidin-2-yl)but-1-enyl]piperazine is sourced from PubChem (CID 142079245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).