3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride

C16H25ClN2O — CID 120849365

IUPAC3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
SMILESCOC1Cc2ccccc2N(CC2CCNCC2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-19-15-10-14-4-2-3-5-16(14)18(12-15)11-13-6-8-17-9-7-13;/h2-5,13,15,17H,6-12H2,1H3;1H
InChIKeyYEKIKUQSBNVTLK-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.49
Rot. Bonds3

About 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride

3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride (PubChem CID 120849365) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride.

Molecular Properties

Compound Name3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
PubChem CID120849365
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
SMILESCOC1Cc2ccccc2N(CC2CCNCC2)C1.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-19-15-10-14-4-2-3-5-16(14)18(12-15)11-13-6-8-17-9-7-13;/h2-5,13,15,17H,6-12H2,1H3;1H
InChIKeyYEKIKUQSBNVTLK-UHFFFAOYSA-N
XLogP2.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-2-amine
CID 120849370
3-methyl-1-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinoline
CID 63524793
1-[(4-methoxypyrrolidin-2-yl)methyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 63534433
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
(2S)-1-(piperidin-4-ylmethyl)-2,3-dihydroindole-2-carboxamide;hydrochloride
CID 119930985
8-fluoro-2-methyl-4-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazine
CID 120849021
1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
(3S)-3-methoxy-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]-3,4-dihydro-2H-quinoline
CID 125141740
5-[(3-methoxy-3,4-dihydro-2H-quinolin-1-yl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167972124
3-methyl-1-(piperidin-4-ylmethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 63539873
5-(piperidin-4-ylmethyl)-3,4-dihydro-2H-1,5-benzothiazepine;hydrochloride
CID 119929691
3-tert-butyl-1-(cyclopentylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 79906826

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride?
The IUPAC name of 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride (CID 120849365) is 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride.
What is the SMILES notation for 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride?
The canonical SMILES for 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride is COC1Cc2ccccc2N(CC2CCNCC2)C1.Cl.
What is the InChIKey of 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride?
The InChIKey is YEKIKUQSBNVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-19-15-10-14-4-2-3-5-16(14)18(12-15)11-13-6-8-17-9-7-13;/h2-5,13,15,17H,6-12H2,1H3;1H.
What are the key properties of 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride?
3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride is sourced from PubChem (CID 120849365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).