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

C21H32N2O — CID 10065106

IUPAC3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cc2c(cc1OCCN1CCCCC1)CCN(CC1CC1)CC2
InChIInChI=1S/C21H32N2O/c1-2-10-22(11-3-1)14-15-24-21-7-6-19-8-12-23(17-18-4-5-18)13-9-20(19)16-21/h6-7,16,18H,1-5,8-15,17H2
InChIKeyVSGRIQNOEXFJLL-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.36
Rot. Bonds6

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

3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 10065106) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID10065106
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1cc2c(cc1OCCN1CCCCC1)CCN(CC1CC1)CC2
InChIInChI=1S/C21H32N2O/c1-2-10-22(11-3-1)14-15-24-21-7-6-19-8-12-23(17-18-4-5-18)13-9-20(19)16-21/h6-7,16,18H,1-5,8-15,17H2
InChIKeyVSGRIQNOEXFJLL-UHFFFAOYSA-N
XLogP3.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 9798145
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CID 9973087
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CID 9973932
CID 9973932
CID 10000114
CID 10000114
CID 10093180
CID 10093180
CID 10244716
CID 10244716
CID 10339638
CID 10339638
CID 10381075
CID 10381075
CID 10382001
CID 10382001
CID 10426237
CID 10426237
CID 68506105
CID 68506105
CID 68509511
CID 68509511

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine (CID 10065106) is 3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine is c1cc2c(cc1OCCN1CCCCC1)CCN(CC1CC1)CC2.
What is the InChIKey of 3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is VSGRIQNOEXFJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-10-22(11-3-1)14-15-24-21-7-6-19-8-12-23(17-18-4-5-18)13-9-20(19)16-21/h6-7,16,18H,1-5,8-15,17H2.
What are the key properties of 3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine?
3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 328.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-(2-piperidin-1-ylethoxy)-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 10065106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).