1-heptan-2-yl-2-methyl-5-phenylpiperazine

C18H30N2 — CID 64935927

IUPAC1-heptan-2-yl-2-methyl-5-phenylpiperazine
SMILESCCCCCC(C)N1CC(c2ccccc2)NCC1C
InChIInChI=1S/C18H30N2/c1-4-5-7-10-15(2)20-14-18(19-13-16(20)3)17-11-8-6-9-12-17/h6,8-9,11-12,15-16,18-19H,4-5,7,10,13-14H2,1-3H3
InChIKeyFQWMLZQPSDNVPK-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.99
Rot. Bonds6

About 1-heptan-2-yl-2-methyl-5-phenylpiperazine

1-heptan-2-yl-2-methyl-5-phenylpiperazine (PubChem CID 64935927) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-heptan-2-yl-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-heptan-2-yl-2-methyl-5-phenylpiperazine
PubChem CID64935927
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-heptan-2-yl-2-methyl-5-phenylpiperazine
SMILESCCCCCC(C)N1CC(c2ccccc2)NCC1C
InChIInChI=1S/C18H30N2/c1-4-5-7-10-15(2)20-14-18(19-13-16(20)3)17-11-8-6-9-12-17/h6,8-9,11-12,15-16,18-19H,4-5,7,10,13-14H2,1-3H3
InChIKeyFQWMLZQPSDNVPK-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-heptan-2-yl-2-methyl-5-phenylpiperazine (CID 64935927) is 1-heptan-2-yl-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-heptan-2-yl-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-heptan-2-yl-2-methyl-5-phenylpiperazine is CCCCCC(C)N1CC(c2ccccc2)NCC1C.
What is the InChIKey of 1-heptan-2-yl-2-methyl-5-phenylpiperazine?
The InChIKey is FQWMLZQPSDNVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-5-7-10-15(2)20-14-18(19-13-16(20)3)17-11-8-6-9-12-17/h6,8-9,11-12,15-16,18-19H,4-5,7,10,13-14H2,1-3H3.
What are the key properties of 1-heptan-2-yl-2-methyl-5-phenylpiperazine?
1-heptan-2-yl-2-methyl-5-phenylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 64935927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).