7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine

C18H28N2O — CID 10266140

IUPAC7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC(C)N1CCC(Oc2ccc3c(c2)CCNCC3)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)20-11-7-17(8-12-20)21-18-4-3-15-5-9-19-10-6-16(15)13-18/h3-4,13-14,17,19H,5-12H2,1-2H3
InChIKeyXFMAJARUDAULHP-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.63
Rot. Bonds3

About 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine

7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine (PubChem CID 10266140) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine.

Molecular Properties

Compound Name7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
PubChem CID10266140
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
SMILESCC(C)N1CCC(Oc2ccc3c(c2)CCNCC3)CC1
InChIInChI=1S/C18H28N2O/c1-14(2)20-11-7-17(8-12-20)21-18-4-3-15-5-9-19-10-6-16(15)13-18/h3-4,13-14,17,19H,5-12H2,1-2H3
InChIKeyXFMAJARUDAULHP-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
The IUPAC name of 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine (CID 10266140) is 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine.
What is the SMILES notation for 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
The canonical SMILES for 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine is CC(C)N1CCC(Oc2ccc3c(c2)CCNCC3)CC1.
What is the InChIKey of 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
The InChIKey is XFMAJARUDAULHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)20-11-7-17(8-12-20)21-18-4-3-15-5-9-19-10-6-16(15)13-18/h3-4,13-14,17,19H,5-12H2,1-2H3.
What are the key properties of 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine?
7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine has a molecular weight of 288.44 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine is sourced from PubChem (CID 10266140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).