4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride

C16H22ClNO — CID 139664606

IUPAC4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride
SMILESCOc1ccc2c(c1)C(C1CCNCC1)=CCC2.Cl
InChIInChI=1S/C16H21NO.ClH/c1-18-14-6-5-12-3-2-4-15(16(12)11-14)13-7-9-17-10-8-13;/h4-6,11,13,17H,2-3,7-10H2,1H3;1H
InChIKeyCYPXBWGEAHAYTJ-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.45
Rot. Bonds2

About 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride

4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride (PubChem CID 139664606) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride
PubChem CID139664606
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride
SMILESCOc1ccc2c(c1)C(C1CCNCC1)=CCC2.Cl
InChIInChI=1S/C16H21NO.ClH/c1-18-14-6-5-12-3-2-4-15(16(12)11-14)13-7-9-17-10-8-13;/h4-6,11,13,17H,2-3,7-10H2,1H3;1H
InChIKeyCYPXBWGEAHAYTJ-UHFFFAOYSA-N
XLogP3.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-methoxyphenyl)-2,3,3a,4,5,6-hexahydrobenzo[e]azulene
CID 155930355
7-methoxy-3,4-dihydronaphthalene-1-carbonitrile
CID 11521201
6-methoxy-1-piperidin-4-yl-3,4-dihydroisoquinoline
CID 18172389
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
4-(5-methoxy-1-benzofuran-2-yl)piperidine;hydrochloride
CID 23312240
2-(7-methoxy-3,4-dihydronaphthalen-1-yl)-N-[2-(7-methoxy-3,4-dihydronaphthalen-1-yl)ethyl]ethanamine
CID 123816492
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
4-(4-methoxy-2-methylphenyl)azepane
CID 83261173
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
(7-methoxy-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 11243752
6-methoxy-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
CID 52983604

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride?
The IUPAC name of 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride (CID 139664606) is 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride.
What is the SMILES notation for 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride?
The canonical SMILES for 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride is COc1ccc2c(c1)C(C1CCNCC1)=CCC2.Cl.
What is the InChIKey of 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride?
The InChIKey is CYPXBWGEAHAYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.ClH/c1-18-14-6-5-12-3-2-4-15(16(12)11-14)13-7-9-17-10-8-13;/h4-6,11,13,17H,2-3,7-10H2,1H3;1H.
What are the key properties of 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride?
4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-3,4-dihydronaphthalen-1-yl)piperidine;hydrochloride is sourced from PubChem (CID 139664606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).