5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine

C18H24N2 — CID 116645559

IUPAC5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine
SMILESCC#CCCN1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-3-7-12-20-14-17(15-10-11-15)19-13-18(20)16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,7,10-14H2,1H3
InChIKeyZPGIKUCQYRGCNA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.82
Rot. Bonds4

About 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine

5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine (PubChem CID 116645559) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine
PubChem CID116645559
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine
SMILESCC#CCCN1CC(C2CC2)NCC1c1ccccc1
InChIInChI=1S/C18H24N2/c1-2-3-7-12-20-14-17(15-10-11-15)19-13-18(20)16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,7,10-14H2,1H3
InChIKeyZPGIKUCQYRGCNA-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-cyclopropyl-2-phenyl-1-propylpiperazine
CID 64860711
5-cyclopropyl-1-(cyclopropylmethyl)-2-phenylpiperazine
CID 64860134
5-cyclopropyl-1-(2-methoxy-2-methylpropyl)-2-phenylpiperazine
CID 104766324
5-cyclopropyl-1-(3-methoxy-2-methylpropyl)-2-phenylpiperazine
CID 64946388
5-cyclopropyl-1-(2,2-dimethylcyclopropyl)-2-phenylpiperazine
CID 64945602
5-cyclopropyl-1-(3-methylbutan-2-yl)-2-phenylpiperazine
CID 64934608
5-cyclopropyl-1-(3,3-dimethylbutan-2-yl)-2-phenylpiperazine
CID 104830214
5-cyclopropyl-1-(1-methylpyrazol-4-yl)-2-phenylpiperazine
CID 64936178
5-cyclopropyl-1-(1-methoxybutan-2-yl)-2-phenylpiperazine
CID 64941267
1-(3-methoxypropyl)-5-methyl-2-phenylpiperazine
CID 64846136
5-ethyl-1-hex-5-ynyl-2-phenylpiperazine
CID 106211749
1-(3-ethoxypropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64953087

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine?
The IUPAC name of 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine (CID 116645559) is 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine is CC#CCCN1CC(C2CC2)NCC1c1ccccc1.
What is the InChIKey of 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine?
The InChIKey is ZPGIKUCQYRGCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-3-7-12-20-14-17(15-10-11-15)19-13-18(20)16-8-5-4-6-9-16/h4-6,8-9,15,17-19H,7,10-14H2,1H3.
What are the key properties of 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine?
5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine has a molecular weight of 268.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-pent-3-ynyl-2-phenylpiperazine is sourced from PubChem (CID 116645559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).