1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine

C21H23N3 — CID 3321210

IUPAC1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine
SMILESCc1cnccc1C(c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C21H23N3/c1-16-15-23-9-8-20(16)21(24-12-10-22-11-13-24)19-7-6-17-4-2-3-5-18(17)14-19/h2-9,14-15,21-22H,10-13H2,1H3
InChIKeyXFAHVLLFNIKVDX-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.54
Rot. Bonds3

About 1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine

1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine (PubChem CID 3321210) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine.

Molecular Properties

Compound Name1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine
PubChem CID3321210
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine
SMILESCc1cnccc1C(c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C21H23N3/c1-16-15-23-9-8-20(16)21(24-12-10-22-11-13-24)19-7-6-17-4-2-3-5-18(17)14-19/h2-9,14-15,21-22H,10-13H2,1H3
InChIKeyXFAHVLLFNIKVDX-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

3-[1,4-diazepan-1-yl-(3-methyl-4-pyridinyl)methyl]quinoline
CID 3704590
1-[(4-bromophenyl)-(3-methyl-4-pyridinyl)methyl]piperazine
CID 3909060
1-[(3-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]piperazine
CID 3314309
6-[1,4-diazepan-1-yl-[2-(trifluoromethyl)phenyl]methyl]isoquinoline
CID 3766799
1-[(6-methyl-2-pyridinyl)-naphthalen-2-ylmethyl]-1,4-diazepane
CID 3816989
1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]piperazine
CID 3621959
6-[(2,4-dimethoxyphenyl)-piperazin-1-ylmethyl]isoquinoline
CID 5134907
6-[(4-bromophenyl)-piperazin-1-ylmethyl]isoquinoline
CID 3499214
1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
CID 5211839
1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperazine
CID 3348475
1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-[(3-chlorophenyl)-naphthalen-2-ylmethyl]piperazine
CID 4601927

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine?
The IUPAC name of 1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine (CID 3321210) is 1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine.
What is the SMILES notation for 1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine?
The canonical SMILES for 1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine is Cc1cnccc1C(c1ccc2ccccc2c1)N1CCNCC1.
What is the InChIKey of 1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine?
The InChIKey is XFAHVLLFNIKVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-15-23-9-8-20(16)21(24-12-10-22-11-13-24)19-7-6-17-4-2-3-5-18(17)14-19/h2-9,14-15,21-22H,10-13H2,1H3.
What are the key properties of 1-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine?
1-[(3-methyl-4-pyridinyl)-naphthalen-2-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-[(3-methyl-4-pyridinyl)-naphthalen-2-ylmethyl]piperazine is sourced from PubChem (CID 3321210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).