1-(3-phenylpropyl)-2-propan-2-ylpiperazine

C16H26N2 — CID 64832545

IUPAC1-(3-phenylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CCCc1ccccc1
InChIInChI=1S/C16H26N2/c1-14(2)16-13-17-10-12-18(16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyFBVPPYBIJQULOI-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.55
Rot. Bonds5

About 1-(3-phenylpropyl)-2-propan-2-ylpiperazine

1-(3-phenylpropyl)-2-propan-2-ylpiperazine (PubChem CID 64832545) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-phenylpropyl)-2-propan-2-ylpiperazine
PubChem CID64832545
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(3-phenylpropyl)-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CCCc1ccccc1
InChIInChI=1S/C16H26N2/c1-14(2)16-13-17-10-12-18(16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyFBVPPYBIJQULOI-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246033
1-[4-(4-methylphenoxy)butyl]-2-propan-2-ylpiperazine
CID 82250820
1-pent-4-ynyl-2-propan-2-ylpiperazine
CID 106222019
1-[(4-methylphenyl)methyl]-2-propan-2-ylpiperazine
CID 64832159
1-[2-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 114140136
1-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpiperazine
CID 106172747
1-[3-(4-chlorophenyl)propyl]-2-methylpiperazine
CID 82298365
1-(3-imidazol-1-ylpropyl)-2-propan-2-ylpiperazine
CID 64832153
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]piperidine
CID 66273007

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3-phenylpropyl)-2-propan-2-ylpiperazine (CID 64832545) is 1-(3-phenylpropyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-phenylpropyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-phenylpropyl)-2-propan-2-ylpiperazine is CC(C)C1CNCCN1CCCc1ccccc1.
What is the InChIKey of 1-(3-phenylpropyl)-2-propan-2-ylpiperazine?
The InChIKey is FBVPPYBIJQULOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)16-13-17-10-12-18(16)11-6-9-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3.
What are the key properties of 1-(3-phenylpropyl)-2-propan-2-ylpiperazine?
1-(3-phenylpropyl)-2-propan-2-ylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 64832545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).