2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine

C20H32N2O — CID 10381075

IUPAC2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCCN1CCCc2cc(OCCCN3CCCCC3)ccc2C1
InChIInChI=1S/C20H32N2O/c1-2-21-13-6-8-18-16-20(10-9-19(18)17-21)23-15-7-14-22-11-4-3-5-12-22/h9-10,16H,2-8,11-15,17H2,1H3
InChIKeyBTYIICKAVAGCHM-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.71
Rot. Bonds6

About 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine

2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 10381075) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID10381075
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine
SMILESCCN1CCCc2cc(OCCCN3CCCCC3)ccc2C1
InChIInChI=1S/C20H32N2O/c1-2-21-13-6-8-18-16-20(10-9-19(18)17-21)23-15-7-14-22-11-4-3-5-12-22/h9-10,16H,2-8,11-15,17H2,1H3
InChIKeyBTYIICKAVAGCHM-UHFFFAOYSA-N
XLogP3.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

1-(3-(4-(1-Piperidinylmethyl)phenoxy)propyl)piperidine
CID 2766326
3-(Cyclopropylmethyl)-7-(3-piperidin-1-ylpropoxy)-1,2,4,5-tetrahydro-3-benzazepine
CID 9798145
Dimethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9835304
N-methyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]butan-1-amine
CID 9836681
1-Propan-2-yl-4-[4-(pyrrolidin-1-ylmethyl)phenoxy]piperidine
CID 9879473
1-[[4-(1-Propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]azepane
CID 9902060
N-ethyl-N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]ethanamine
CID 9944320
2-Ethyl-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 9951524
4-[4-(Piperidin-1-ylmethyl)phenoxy]-1-propan-2-ylpiperidine
CID 9966707
3-Ethyl-7-(3-piperidin-1-yl-propoxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9973087
2-isopropyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 9973932
3-(cyclohexylmethyl)-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10000114

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine (CID 10381075) is 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine is CCN1CCCc2cc(OCCCN3CCCCC3)ccc2C1.
What is the InChIKey of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is BTYIICKAVAGCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-2-21-13-6-8-18-16-20(10-9-19(18)17-21)23-15-7-14-22-11-4-3-5-12-22/h9-10,16H,2-8,11-15,17H2,1H3.
What are the key properties of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine?
2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 316.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(3-piperidin-1-ylpropoxy)-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 10381075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).