1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine

C19H27N — CID 22104511

IUPAC1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine
SMILESCc1cc2c(cc1C)CCC(CCN1CCCCC1)=C2
InChIInChI=1S/C19H27N/c1-15-12-18-7-6-17(14-19(18)13-16(15)2)8-11-20-9-4-3-5-10-20/h12-14H,3-11H2,1-2H3
InChIKeyNFOCQFKIPLWQLR-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.51
Rot. Bonds3

About 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine

1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine (PubChem CID 22104511) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine
PubChem CID22104511
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine
SMILESCc1cc2c(cc1C)CCC(CCN1CCCCC1)=C2
InChIInChI=1S/C19H27N/c1-15-12-18-7-6-17(14-19(18)13-16(15)2)8-11-20-9-4-3-5-10-20/h12-14H,3-11H2,1-2H3
InChIKeyNFOCQFKIPLWQLR-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine (CID 22104511) is 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine is Cc1cc2c(cc1C)CCC(CCN1CCCCC1)=C2.
What is the InChIKey of 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine?
The InChIKey is NFOCQFKIPLWQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-15-12-18-7-6-17(14-19(18)13-16(15)2)8-11-20-9-4-3-5-10-20/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine?
1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine has a molecular weight of 269.43 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethyl-3,4-dihydronaphthalen-2-yl)ethyl]piperidine is sourced from PubChem (CID 22104511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).