2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine

C18H27NO — CID 117436649

IUPAC2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
SMILESCOc1cc2c(c(C)c1CC1CCCCN1)CCCC2
InChIInChI=1S/C18H27NO/c1-13-16-9-4-3-7-14(16)11-18(20-2)17(13)12-15-8-5-6-10-19-15/h11,15,19H,3-10,12H2,1-2H3
InChIKeyHCHCVHAQNXIEEX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.57
Rot. Bonds3

About 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine

2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine (PubChem CID 117436649) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
PubChem CID117436649
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine
SMILESCOc1cc2c(c(C)c1CC1CCCCN1)CCCC2
InChIInChI=1S/C18H27NO/c1-13-16-9-4-3-7-14(16)11-18(20-2)17(13)12-15-8-5-6-10-19-15/h11,15,19H,3-10,12H2,1-2H3
InChIKeyHCHCVHAQNXIEEX-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
1-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117371832
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[[3,5-dimethoxy-4-(methoxymethyl)phenyl]methyl]piperidine
CID 117448273
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
O-[2-(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]hydroxylamine
CID 117343417
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417625
2-[(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117366133
2-[(7-bromo-6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]pyrrolidine
CID 117495196
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine?
The IUPAC name of 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine (CID 117436649) is 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine.
What is the SMILES notation for 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine?
The canonical SMILES for 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine is COc1cc2c(c(C)c1CC1CCCCN1)CCCC2.
What is the InChIKey of 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine?
The InChIKey is HCHCVHAQNXIEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-16-9-4-3-7-14(16)11-18(20-2)17(13)12-15-8-5-6-10-19-15/h11,15,19H,3-10,12H2,1-2H3.
What are the key properties of 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine?
2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine has a molecular weight of 273.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]piperidine is sourced from PubChem (CID 117436649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).