1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine

C18H30N2 — CID 64947170

IUPAC1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine
SMILESCCCC(CC)N1CC(C)(c2ccccc2)NCC1C
InChIInChI=1S/C18H30N2/c1-5-10-17(6-2)20-14-18(4,19-13-15(20)3)16-11-8-7-9-12-16/h7-9,11-12,15,17,19H,5-6,10,13-14H2,1-4H3
InChIKeyYCFCSTKKEVKYHR-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds5

About 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine

1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine (PubChem CID 64947170) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine
PubChem CID64947170
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine
SMILESCCCC(CC)N1CC(C)(c2ccccc2)NCC1C
InChIInChI=1S/C18H30N2/c1-5-10-17(6-2)20-14-18(4,19-13-15(20)3)16-11-8-7-9-12-16/h7-9,11-12,15,17,19H,5-6,10,13-14H2,1-4H3
InChIKeyYCFCSTKKEVKYHR-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopropylbutan-2-yl)-2,5-dimethyl-5-phenylpiperazine
CID 64941245
1-but-3-en-2-yl-2,5-dimethyl-5-phenylpiperazine
CID 113480602
2,5-dimethyl-5-phenyl-1-(1-thiophen-3-ylethyl)piperazine
CID 64940197
1-ethyl-5-methyl-5-phenyl-2-propylpiperazine
CID 64862477
1-(2,2-dimethylpropyl)-2,5-dimethyl-5-phenylpiperazine
CID 64935365
2-cyclopropyl-5-methyl-5-phenyl-1-propylpiperazine
CID 64860974
1-(2-methoxyethyl)-2,5-dimethyl-5-phenylpiperazine
CID 64861931
2,5-dimethyl-5-phenyl-1-(thiophen-3-ylmethyl)piperazine
CID 64862285
1-(1-cyclopropylpropan-2-yl)-2-ethyl-5-methyl-5-phenylpiperazine
CID 64941635
1-(1-cyclopropylbutan-2-yl)-3-methyl-3-phenylpiperazine
CID 64952228
5-[(2,5-dimethyl-5-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64940420
1-hex-5-ynyl-2,5-dimethyl-5-phenylpiperazine
CID 106211786

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine?
The IUPAC name of 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine (CID 64947170) is 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine.
What is the SMILES notation for 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine?
The canonical SMILES for 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine is CCCC(CC)N1CC(C)(c2ccccc2)NCC1C.
What is the InChIKey of 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine?
The InChIKey is YCFCSTKKEVKYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-10-17(6-2)20-14-18(4,19-13-15(20)3)16-11-8-7-9-12-16/h7-9,11-12,15,17,19H,5-6,10,13-14H2,1-4H3.
What are the key properties of 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine?
1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-2,5-dimethyl-5-phenylpiperazine is sourced from PubChem (CID 64947170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).