N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

C16H25N3 — CID 116954775

IUPACN-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)CCCC2)N1CCNCC1
InChIInChI=1S/C16H25N3/c1-17-16(19-10-8-18-9-11-19)15-7-6-13-4-2-3-5-14(13)12-15/h6-7,12,16-18H,2-5,8-11H2,1H3
InChIKeyAIEJIGUSHZNMLQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.69
Rot. Bonds3

About N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 116954775) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
PubChem CID116954775
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)CCCC2)N1CCNCC1
InChIInChI=1S/C16H25N3/c1-17-16(19-10-8-18-9-11-19)15-7-6-13-4-2-3-5-14(13)12-15/h6-7,12,16-18H,2-5,8-11H2,1H3
InChIKeyAIEJIGUSHZNMLQ-UHFFFAOYSA-N
XLogP1.69
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954841
2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
CID 116939742
N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine
CID 116954863
1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954778
1-(3-chloro-4-fluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954827
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
1-(methylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 116859383
2-(methylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 116961596
1-(azetidin-3-yl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116950726
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 82201857

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (CID 116954775) is N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is CNC(c1ccc2c(c1)CCCC2)N1CCNCC1.
What is the InChIKey of N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is AIEJIGUSHZNMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-17-16(19-10-8-18-9-11-19)15-7-6-13-4-2-3-5-14(13)12-15/h6-7,12,16-18H,2-5,8-11H2,1H3.
What are the key properties of N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 259.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 116954775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).