7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine

C26H37N3 — CID 14306787

IUPAC7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
SMILESCc1cc2c(cc1C)CCN(CC1CCCN(CCCc3cccnc3)C1)CC2
InChIInChI=1S/C26H37N3/c1-21-16-25-9-14-29(15-10-26(25)17-22(21)2)20-24-8-5-13-28(19-24)12-4-7-23-6-3-11-27-18-23/h3,6,11,16-18,24H,4-5,7-10,12-15,19-20H2,1-2H3
InChIKeyTZNMVAZORVPQBV-UHFFFAOYSA-N
MW391.60 g/mol
LogP4.44
Rot. Bonds6

About 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine

7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 14306787) has the molecular formula C26H37N3 and a molecular weight of 391.60 g/mol. Its IUPAC name is 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID14306787
Molecular FormulaC26H37N3
Molecular Weight391.60 g/mol
Exact Mass391.30
IUPAC Name7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
SMILESCc1cc2c(cc1C)CCN(CC1CCCN(CCCc3cccnc3)C1)CC2
InChIInChI=1S/C26H37N3/c1-21-16-25-9-14-29(15-10-26(25)17-22(21)2)20-24-8-5-13-28(19-24)12-4-7-23-6-3-11-27-18-23/h3,6,11,16-18,24H,4-5,7-10,12-15,19-20H2,1-2H3
InChIKeyTZNMVAZORVPQBV-UHFFFAOYSA-N
XLogP4.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine with MolForge

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Related Compounds

7,8-dimethoxy-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1H-3-benzazepin-2-one
CID 19804058
[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanol
CID 63262723
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
CID 119914710
6-[[1-(3-pyridin-3-ylpropyl)pyrrolidin-3-yl]methyl]-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-one
CID 14306742
6,7-dimethyl-2-[[1-(3-pyridin-4-ylpropyl)pyrrolidin-3-yl]methyl]-3,4-dihydroisoquinolin-1-one;hydrate;dihydrochloride
CID 19803879
3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine
CID 124749207
1-(2-pyridin-3-ylethyl)piperidin-3-ol
CID 63262678
3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 95717145
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
3-[[1-[3-(4-bromophenyl)propyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride
CID 19803929

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine (CID 14306787) is 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine is Cc1cc2c(cc1C)CCN(CC1CCCN(CCCc3cccnc3)C1)CC2.
What is the InChIKey of 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is TZNMVAZORVPQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3/c1-21-16-25-9-14-29(15-10-26(25)17-22(21)2)20-24-8-5-13-28(19-24)12-4-7-23-6-3-11-27-18-23/h3,6,11,16-18,24H,4-5,7-10,12-15,19-20H2,1-2H3.
What are the key properties of 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine?
7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 391.60 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-3-[[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 14306787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).