1-benzyl-4-pent-2-en-3-ylpiperazine

C16H24N2 — CID 123299299

IUPAC1-benzyl-4-pent-2-en-3-ylpiperazine
SMILESCC=C(CC)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-3-16(4-2)18-12-10-17(11-13-18)14-15-8-6-5-7-9-15/h3,5-9H,4,10-14H2,1-2H3
InChIKeyGRGNBMPEJKBWOM-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.12
Rot. Bonds4

About 1-benzyl-4-pent-2-en-3-ylpiperazine

1-benzyl-4-pent-2-en-3-ylpiperazine (PubChem CID 123299299) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-benzyl-4-pent-2-en-3-ylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-pent-2-en-3-ylpiperazine
PubChem CID123299299
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-benzyl-4-pent-2-en-3-ylpiperazine
SMILESCC=C(CC)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2/c1-3-16(4-2)18-12-10-17(11-13-18)14-15-8-6-5-7-9-15/h3,5-9H,4,10-14H2,1-2H3
InChIKeyGRGNBMPEJKBWOM-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 874457
1-(4-benzylpiperazin-1-yl)butan-2-ol
CID 60885718
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
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1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
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1-benzylpyrrolidine;propane
CID 143692089
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
1-benzyl-4-methylpiperazine;formic acid
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4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
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CID 110285473

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-pent-2-en-3-ylpiperazine?
The IUPAC name of 1-benzyl-4-pent-2-en-3-ylpiperazine (CID 123299299) is 1-benzyl-4-pent-2-en-3-ylpiperazine.
What is the SMILES notation for 1-benzyl-4-pent-2-en-3-ylpiperazine?
The canonical SMILES for 1-benzyl-4-pent-2-en-3-ylpiperazine is CC=C(CC)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-pent-2-en-3-ylpiperazine?
The InChIKey is GRGNBMPEJKBWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-16(4-2)18-12-10-17(11-13-18)14-15-8-6-5-7-9-15/h3,5-9H,4,10-14H2,1-2H3.
What are the key properties of 1-benzyl-4-pent-2-en-3-ylpiperazine?
1-benzyl-4-pent-2-en-3-ylpiperazine has a molecular weight of 244.38 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-pent-2-en-3-ylpiperazine is sourced from PubChem (CID 123299299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).