3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine

C16H24N2 — CID 64833584

IUPAC3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
SMILESCC1CN(CC2CCCc3ccccc32)CCN1
InChIInChI=1S/C16H24N2/c1-13-11-18(10-9-17-13)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8,13,15,17H,4,6-7,9-12H2,1H3
InChIKeyDVASLGXPEWWVMA-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.40
Rot. Bonds2

About 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine

3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine (PubChem CID 64833584) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
PubChem CID64833584
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
SMILESCC1CN(CC2CCCc3ccccc32)CCN1
InChIInChI=1S/C16H24N2/c1-13-11-18(10-9-17-13)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8,13,15,17H,4,6-7,9-12H2,1H3
InChIKeyDVASLGXPEWWVMA-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,4-diazepane
CID 63772764
3-chloro-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidine
CID 63771318
N'-hydroxy-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidine-3-carboximidamide
CID 77041361
1-(2-bromoethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 80678906
[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methanol
CID 55242278
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-1,3,2-dioxazolidine-4,5-dione
CID 44784874
2-(chloromethyl)-6-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)morpholine
CID 102936725
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]methyl]ethanamine
CID 63772800
N-methyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperidin-4-yl]ethanamine
CID 63854126
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepane
CID 79226076
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64832346

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine?
The IUPAC name of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine (CID 64833584) is 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine is CC1CN(CC2CCCc3ccccc32)CCN1.
What is the InChIKey of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine?
The InChIKey is DVASLGXPEWWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-11-18(10-9-17-13)12-15-7-4-6-14-5-2-3-8-16(14)15/h2-3,5,8,13,15,17H,4,6-7,9-12H2,1H3.
What are the key properties of 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine?
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine has a molecular weight of 244.38 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 64833584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).