1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine

C14H26N2O — CID 75506917

IUPAC1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CN(C)CCN1CC1=CCCOC1
InChIInChI=1S/C14H26N2O/c1-12(2)14-10-15(3)6-7-16(14)9-13-5-4-8-17-11-13/h5,12,14H,4,6-11H2,1-3H3
InChIKeyQSMDVCGUNQJQRT-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.61
Rot. Bonds3

About 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine

1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine (PubChem CID 75506917) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine
PubChem CID75506917
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CN(C)CCN1CC1=CCCOC1
InChIInChI=1S/C14H26N2O/c1-12(2)14-10-15(3)6-7-16(14)9-13-5-4-8-17-11-13/h5,12,14H,4,6-11H2,1-3H3
InChIKeyQSMDVCGUNQJQRT-UHFFFAOYSA-N
XLogP1.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine (CID 75506917) is 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine is CC(C)C1CN(C)CCN1CC1=CCCOC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine?
The InChIKey is QSMDVCGUNQJQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)14-10-15(3)6-7-16(14)9-13-5-4-8-17-11-13/h5,12,14H,4,6-11H2,1-3H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine?
1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine has a molecular weight of 238.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 75506917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).