N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine

C17H23N3 — CID 116954863

IUPACN-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine
SMILESCNC(c1ccc2cc(C)ccc2c1)N1CCNCC1
InChIInChI=1S/C17H23N3/c1-13-3-4-15-12-16(6-5-14(15)11-13)17(18-2)20-9-7-19-8-10-20/h3-6,11-12,17-19H,7-10H2,1-2H3
InChIKeyUALOVRFIYUPLFK-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.27
Rot. Bonds3

About N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine

N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine (PubChem CID 116954863) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine
PubChem CID116954863
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine
SMILESCNC(c1ccc2cc(C)ccc2c1)N1CCNCC1
InChIInChI=1S/C17H23N3/c1-13-3-4-15-12-16(6-5-14(15)11-13)17(18-2)20-9-7-19-8-10-20/h3-6,11-12,17-19H,7-10H2,1-2H3
InChIKeyUALOVRFIYUPLFK-UHFFFAOYSA-N
XLogP2.27
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 116954775
1-(4-bromophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954778
1-(3-chloro-4-fluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954827
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954841
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
2-N,2-dimethyl-1-(6-methylnaphthalen-2-yl)propane-1,2-diamine
CID 116938972
N-methyl-1-(6-methylnaphthalen-2-yl)-1-pyrrolidin-2-ylmethanamine
CID 116950987
1-(2,4-difluorophenyl)-N-methyl-1-piperazin-1-ylmethanamine
CID 116954814
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]piperazine
CID 171286074
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960976
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine
CID 116946784

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine?
The IUPAC name of N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine (CID 116954863) is N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine.
What is the SMILES notation for N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine?
The canonical SMILES for N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine is CNC(c1ccc2cc(C)ccc2c1)N1CCNCC1.
What is the InChIKey of N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine?
The InChIKey is UALOVRFIYUPLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13-3-4-15-12-16(6-5-14(15)11-13)17(18-2)20-9-7-19-8-10-20/h3-6,11-12,17-19H,7-10H2,1-2H3.
What are the key properties of N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine?
N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine has a molecular weight of 269.39 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-methylnaphthalen-2-yl)-1-piperazin-1-ylmethanamine is sourced from PubChem (CID 116954863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).