7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine

C20H32N2O — CID 10430411

IUPAC7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine
SMILESCC(C)N1CCCc2cc(OCCN3CCCCC3)ccc2C1
InChIInChI=1S/C20H32N2O/c1-17(2)22-12-6-7-18-15-20(9-8-19(18)16-22)23-14-13-21-10-4-3-5-11-21/h8-9,15,17H,3-7,10-14,16H2,1-2H3
InChIKeyZJXDFHOJRFUUPQ-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.71
Rot. Bonds5

About 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine

7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 10430411) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID10430411
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine
SMILESCC(C)N1CCCc2cc(OCCN3CCCCC3)ccc2C1
InChIInChI=1S/C20H32N2O/c1-17(2)22-12-6-7-18-15-20(9-8-19(18)16-22)23-14-13-21-10-4-3-5-11-21/h8-9,15,17H,3-7,10-14,16H2,1-2H3
InChIKeyZJXDFHOJRFUUPQ-UHFFFAOYSA-N
XLogP3.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine with MolForge

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Related Compounds

ethane;7-(3-piperidin-1-ylpropoxy)-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 142171690
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 107719023
5-(azepan-1-ylmethyl)-2-propan-2-yl-1,3-dihydroisoindole
CID 135197011
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
(1S)-1-[2-fluoro-4-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 107720404
2-methylsulfanyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
CID 142171872
1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 90706793
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[3-[[6-(pyrrolidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]oxy]propyl]piperidine
CID 11545198
1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 24771157

Frequently Asked Questions

What is the IUPAC name of 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine (CID 10430411) is 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine is CC(C)N1CCCc2cc(OCCN3CCCCC3)ccc2C1.
What is the InChIKey of 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is ZJXDFHOJRFUUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-17(2)22-12-6-7-18-15-20(9-8-19(18)16-22)23-14-13-21-10-4-3-5-11-21/h8-9,15,17H,3-7,10-14,16H2,1-2H3.
What are the key properties of 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine?
7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 316.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 10430411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).