3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine

C17H26N2O — CID 64833278

IUPAC3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CC2CCOCC2)CCN1
InChIInChI=1S/C17H26N2O/c1-17(16-5-3-2-4-6-16)14-19(10-9-18-17)13-15-7-11-20-12-8-15/h2-6,15,18H,7-14H2,1H3
InChIKeyIHARNZLIKSYYTE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.23
Rot. Bonds3

About 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine

3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine (PubChem CID 64833278) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine
PubChem CID64833278
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CC2CCOCC2)CCN1
InChIInChI=1S/C17H26N2O/c1-17(16-5-3-2-4-6-16)14-19(10-9-18-17)13-15-7-11-20-12-8-15/h2-6,15,18H,7-14H2,1H3
InChIKeyIHARNZLIKSYYTE-UHFFFAOYSA-N
XLogP2.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 11450539
N-(1-phenylcyclohexyl)-3-ethoxypropanamine
CID 23584939
(R)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441340
(S)-N-(2,3-dimethylbenzyl)-N-(tetrahydro-2H-pyran-4-yl)pyrrolidin-3-amine
CID 44441341
(2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-pyran-4-yl)-amine
CID 44441351
1-(Morpholin-4-yl)-1-phenylpropan-2-amine
CID 3697140
N-(3-Methoxypropyl)-1-phenylcyclohexanamine
CID 60209993
N-[(2,3-dimethylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 16730430
N-[(2-methylphenyl)methyl]-N-(oxan-4-yl)pyrrolidin-3-amine
CID 127051504
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, cis-
CID 3079305
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, trans-
CID 3079309
Benzyl(1-(morpholin-4-yl)propan-2-yl)amine
CID 43675806

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine?
The IUPAC name of 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine (CID 64833278) is 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine.
What is the SMILES notation for 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine?
The canonical SMILES for 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine is CC1(c2ccccc2)CN(CC2CCOCC2)CCN1.
What is the InChIKey of 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine?
The InChIKey is IHARNZLIKSYYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(16-5-3-2-4-6-16)14-19(10-9-18-17)13-15-7-11-20-12-8-15/h2-6,15,18H,7-14H2,1H3.
What are the key properties of 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine?
3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine has a molecular weight of 274.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine is sourced from PubChem (CID 64833278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).