1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine

C20H21N3 — CID 764826

IUPAC1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
SMILESc1ccc(N2CCN(Cc3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C20H21N3/c1-2-6-19-15-17(8-9-18(19)5-1)16-22-11-13-23(14-12-22)20-7-3-4-10-21-20/h1-10,15H,11-14,16H2
InChIKeyYPVCLPBGBXNBIS-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.56
Rot. Bonds3

About 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine

1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine (PubChem CID 764826) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
PubChem CID764826
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine
SMILESc1ccc(N2CCN(Cc3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C20H21N3/c1-2-6-19-15-17(8-9-18(19)5-1)16-22-11-13-23(14-12-22)20-7-3-4-10-21-20/h1-10,15H,11-14,16H2
InChIKeyYPVCLPBGBXNBIS-UHFFFAOYSA-N
XLogP3.56
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-pyridin-2-ylpiperazine
CID 165351505
1-[(4-iodophenyl)methyl]-4-pyridin-2-ylpiperazine
CID 65477740
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-4-pyridin-2-ylpiperazine
CID 3714513
2-phenyl-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]quinoxaline
CID 10127621
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
N-[[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 174676265
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 10131909
8-chloro-7-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025660
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine (CID 764826) is 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine is c1ccc(N2CCN(Cc3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine?
The InChIKey is YPVCLPBGBXNBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-6-19-15-17(8-9-18(19)5-1)16-22-11-13-23(14-12-22)20-7-3-4-10-21-20/h1-10,15H,11-14,16H2.
What are the key properties of 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine?
1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine has a molecular weight of 303.41 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-2-ylmethyl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 764826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).