1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine

C17H26N2O — CID 71916296

IUPAC1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine
SMILESCc1ccc2c(c1)OCCCC2NC1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-13-5-6-15-16(4-3-11-20-17(15)12-13)18-14-7-9-19(2)10-8-14/h5-6,12,14,16,18H,3-4,7-11H2,1-2H3
InChIKeyCBUNHMTYCXFTJE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.89
Rot. Bonds2

About 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine

1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine (PubChem CID 71916296) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine
PubChem CID71916296
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine
SMILESCc1ccc2c(c1)OCCCC2NC1CCN(C)CC1
InChIInChI=1S/C17H26N2O/c1-13-5-6-15-16(4-3-11-20-17(15)12-13)18-14-7-9-19(2)10-8-14/h5-6,12,14,16,18H,3-4,7-11H2,1-2H3
InChIKeyCBUNHMTYCXFTJE-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine?
The IUPAC name of 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine (CID 71916296) is 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine is Cc1ccc2c(c1)OCCCC2NC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine?
The InChIKey is CBUNHMTYCXFTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-5-6-15-16(4-3-11-20-17(15)12-13)18-14-7-9-19(2)10-8-14/h5-6,12,14,16,18H,3-4,7-11H2,1-2H3.
What are the key properties of 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine?
1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)piperidin-4-amine is sourced from PubChem (CID 71916296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).