7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

C17H27ClN2O — CID 120847784

IUPAC7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESCOc1ccc2c(c1)CCN(CC1CCCNC1)CC2.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-20-17-5-4-15-6-9-19(10-7-16(15)11-17)13-14-3-2-8-18-12-14;/h4-5,11,14,18H,2-3,6-10,12-13H2,1H3;1H
InChIKeyAZPKPWVTHIDDGX-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.52
Rot. Bonds3

About 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride

7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (PubChem CID 120847784) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.

Molecular Properties

Compound Name7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
PubChem CID120847784
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
SMILESCOc1ccc2c(c1)CCN(CC1CCCNC1)CC2.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-20-17-5-4-15-6-9-19(10-7-16(15)11-17)13-14-3-2-8-18-12-14;/h4-5,11,14,18H,2-3,6-10,12-13H2,1H3;1H
InChIKeyAZPKPWVTHIDDGX-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methylsulfonyl-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 120858501
4-(3-methoxyphenyl)-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119931163
2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-1H-isoquinoline
CID 67454861
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753
6-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 120849067
6-bromo-2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 120850519
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 119930578
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119929930
(3S)-3-(2,3-dihydro-1H-inden-5-yloxymethyl)piperidine
CID 42427116
3-[2-(3-methoxyphenyl)propyl]piperidine
CID 105493506
6-methoxy-2-methyl-1-piperidin-3-yl-3,4-dihydro-1H-isoquinoline
CID 116995669

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The IUPAC name of 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride (CID 120847784) is 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride.
What is the SMILES notation for 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The canonical SMILES for 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is COc1ccc2c(c1)CCN(CC1CCCNC1)CC2.Cl.
What is the InChIKey of 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
The InChIKey is AZPKPWVTHIDDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-20-17-5-4-15-6-9-19(10-7-16(15)11-17)13-14-3-2-8-18-12-14;/h4-5,11,14,18H,2-3,6-10,12-13H2,1H3;1H.
What are the key properties of 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride?
7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(piperidin-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride is sourced from PubChem (CID 120847784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).