1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine

C21H23N3 — CID 5023904

IUPAC1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine
SMILESCc1cccc(C(c2cccc3ccccc23)N2CCNCC2)n1
InChIInChI=1S/C21H23N3/c1-16-6-4-11-20(23-16)21(24-14-12-22-13-15-24)19-10-5-8-17-7-2-3-9-18(17)19/h2-11,21-22H,12-15H2,1H3
InChIKeyLONKXJOFOTVPON-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.54
Rot. Bonds3

About 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine

1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine (PubChem CID 5023904) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine
PubChem CID5023904
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine
SMILESCc1cccc(C(c2cccc3ccccc23)N2CCNCC2)n1
InChIInChI=1S/C21H23N3/c1-16-6-4-11-20(23-16)21(24-14-12-22-13-15-24)19-10-5-8-17-7-2-3-9-18(17)19/h2-11,21-22H,12-15H2,1H3
InChIKeyLONKXJOFOTVPON-UHFFFAOYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
CID 5023277
1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3657426
1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane
CID 3816989
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5112017
1-[(2,4-difluorophenyl)-(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3330393
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
1-[(5-methylthiophen-2-yl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3765993
1-[(1S)-2-methyl-1-(6-methyl-2-pyridinyl)butyl]piperazine
CID 171305510
1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3730605
1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5238148
1-[(1R)-1-(6-methyl-2-pyridinyl)prop-2-enyl]piperazine
CID 131534531

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine (CID 5023904) is 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine is Cc1cccc(C(c2cccc3ccccc23)N2CCNCC2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine?
The InChIKey is LONKXJOFOTVPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-6-4-11-20(23-16)21(24-14-12-22-13-15-24)19-10-5-8-17-7-2-3-9-18(17)19/h2-11,21-22H,12-15H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine?
1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine has a molecular weight of 317.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine is sourced from PubChem (CID 5023904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).