1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine

C19H28N2 — CID 106224606

IUPAC1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine
SMILESC#CC(CCC)N1CC(C(C)C)NCC1c1ccccc1
InChIInChI=1S/C19H28N2/c1-5-10-17(6-2)21-14-18(15(3)4)20-13-19(21)16-11-8-7-9-12-16/h2,7-9,11-12,15,17-20H,5,10,13-14H2,1,3-4H3
InChIKeyBYGXQEMXVLKDPM-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.46
Rot. Bonds5

About 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine

1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine (PubChem CID 106224606) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine
PubChem CID106224606
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine
SMILESC#CC(CCC)N1CC(C(C)C)NCC1c1ccccc1
InChIInChI=1S/C19H28N2/c1-5-10-17(6-2)21-14-18(15(3)4)20-13-19(21)16-11-8-7-9-12-16/h2,7-9,11-12,15,17-20H,5,10,13-14H2,1,3-4H3
InChIKeyBYGXQEMXVLKDPM-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-but-3-yn-2-yl-2-phenyl-5-propan-2-ylpiperazine
CID 114420436
2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine
CID 106224486
1-(2-phenyl-5-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246030
1-methylsulfonyl-2-phenyl-5-propan-2-ylpiperazine
CID 82249420
1-(2-methylcyclopropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64936441
1-(cyclopentylmethyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64840410
5-ethyl-2-phenyl-1-propan-2-ylpiperazine
CID 64843317
1-(3-ethoxypropyl)-2-phenyl-5-propan-2-ylpiperazine
CID 64953087
1-benzyl-5-butan-2-yl-2-phenylpiperazine
CID 64849792
2-phenyl-5-propan-2-yl-1-pyridin-3-ylpiperazine
CID 64952268
2-ethyl-1-(1-phenylpropan-2-yl)-5-propan-2-ylpiperazine
CID 64937812
1-(4-methoxybutan-2-yl)-5-methyl-2-phenylpiperazine
CID 64936696

Frequently Asked Questions

What is the IUPAC name of 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine (CID 106224606) is 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine is C#CC(CCC)N1CC(C(C)C)NCC1c1ccccc1.
What is the InChIKey of 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine?
The InChIKey is BYGXQEMXVLKDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-5-10-17(6-2)21-14-18(15(3)4)20-13-19(21)16-11-8-7-9-12-16/h2,7-9,11-12,15,17-20H,5,10,13-14H2,1,3-4H3.
What are the key properties of 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine?
1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine has a molecular weight of 284.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 106224606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).