1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine

C18H27N3 — CID 115419464

IUPAC1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine
SMILESCC1CCC(N2CC(N3CCNCC3)C2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-14-6-7-18(17-5-3-2-4-16(14)17)21-12-15(13-21)20-10-8-19-9-11-20/h2-5,14-15,18-19H,6-13H2,1H3
InChIKeyMQVAKYHHNQCQNL-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.21
Rot. Bonds2

About 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine

1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine (PubChem CID 115419464) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine
PubChem CID115419464
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine
SMILESCC1CCC(N2CC(N3CCNCC3)C2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-14-6-7-18(17-5-3-2-4-16(14)17)21-12-15(13-21)20-10-8-19-9-11-20/h2-5,14-15,18-19H,6-13H2,1H3
InChIKeyMQVAKYHHNQCQNL-UHFFFAOYSA-N
XLogP2.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine?
The IUPAC name of 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine (CID 115419464) is 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine?
The canonical SMILES for 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine is CC1CCC(N2CC(N3CCNCC3)C2)c2ccccc21.
What is the InChIKey of 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine?
The InChIKey is MQVAKYHHNQCQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-6-7-18(17-5-3-2-4-16(14)17)21-12-15(13-21)20-10-8-19-9-11-20/h2-5,14-15,18-19H,6-13H2,1H3.
What are the key properties of 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine?
1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine has a molecular weight of 285.43 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)azetidin-3-yl]piperazine is sourced from PubChem (CID 115419464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).