1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine

C21H28N2O — CID 48568943

IUPAC1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine
SMILESc1ccc2c(OCCN3CCC(N4CCCC4)CC3)cccc2c1
InChIInChI=1S/C21H28N2O/c1-2-8-20-18(6-1)7-5-9-21(20)24-17-16-22-14-10-19(11-15-22)23-12-3-4-13-23/h1-2,5-9,19H,3-4,10-17H2
InChIKeyMXRYNBWFQGRPNZ-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine

1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine (PubChem CID 48568943) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine
PubChem CID48568943
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine
SMILESc1ccc2c(OCCN3CCC(N4CCCC4)CC3)cccc2c1
InChIInChI=1S/C21H28N2O/c1-2-8-20-18(6-1)7-5-9-21(20)24-17-16-22-14-10-19(11-15-22)23-12-3-4-13-23/h1-2,5-9,19H,3-4,10-17H2
InChIKeyMXRYNBWFQGRPNZ-UHFFFAOYSA-N
XLogP3.78
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-naphthalen-1-yloxyethyl)pyrrolidin-3-amine
CID 71151906
1-(2-naphthalen-1-yloxyethyl)-4-(triazol-1-yl)piperidine
CID 71910805
1-(4-naphthalen-1-yloxybutyl)azepane
CID 2195259
4-(2-naphthalen-1-yloxyethyl)thiomorpholine
CID 48568928
methane;1-(5-naphthalen-1-yloxypentyl)pyrrolidine
CID 160697643
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
[1-(2-naphthalen-1-yloxyethyl)azetidin-3-yl]methanamine
CID 71151801
3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine
CID 57150141
7-(2-pyrrolidin-1-ylethoxy)-1H-indole
CID 11564877
1-[2-(1-bromonaphthalen-2-yl)oxyethyl]piperidine
CID 63529278
2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethoxy]aniline
CID 79940825
1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 47079917

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine (CID 48568943) is 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine is c1ccc2c(OCCN3CCC(N4CCCC4)CC3)cccc2c1.
What is the InChIKey of 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine?
The InChIKey is MXRYNBWFQGRPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-2-8-20-18(6-1)7-5-9-21(20)24-17-16-22-14-10-19(11-15-22)23-12-3-4-13-23/h1-2,5-9,19H,3-4,10-17H2.
What are the key properties of 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine?
1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine has a molecular weight of 324.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-1-yloxyethyl)-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 48568943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).