1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine

C21H23N3 — CID 770178

IUPAC1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESc1cncc(CN2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C21H23N3/c1-2-9-21-19(6-1)7-3-8-20(21)17-24-13-11-23(12-14-24)16-18-5-4-10-22-15-18/h1-10,15H,11-14,16-17H2
InChIKeyQGYFZZMPTKVOPV-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.55
Rot. Bonds4

About 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine

1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine (PubChem CID 770178) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
PubChem CID770178
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
SMILESc1cncc(CN2CCN(Cc3cccc4ccccc34)CC2)c1
InChIInChI=1S/C21H23N3/c1-2-9-21-19(6-1)7-3-8-20(21)17-24-13-11-23(12-14-24)16-18-5-4-10-22-15-18/h1-10,15H,11-14,16-17H2
InChIKeyQGYFZZMPTKVOPV-UHFFFAOYSA-N
XLogP3.55
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
CID 146025672
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-pyridin-3-ylethanimine
CID 761617
1-ethyl-3-(naphthalen-1-ylmethyl)-8-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26138079
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
N-naphthalen-1-yl-4-(pyridin-3-ylmethyl)piperazine-1-carbothioamide
CID 19293421
1-[(3-chlorophenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 7026318
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
3-chloro-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]isoquinoline
CID 154878499
1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 112801401
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine (CID 770178) is 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine is c1cncc(CN2CCN(Cc3cccc4ccccc34)CC2)c1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine?
The InChIKey is QGYFZZMPTKVOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-9-21-19(6-1)7-3-8-20(21)17-24-13-11-23(12-14-24)16-18-5-4-10-22-15-18/h1-10,15H,11-14,16-17H2.
What are the key properties of 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine?
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine has a molecular weight of 317.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 770178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).