1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine

C20H21N3 — CID 5023277

IUPAC1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
SMILESc1ccc(C(c2cccc3ccccc23)N2CCNCC2)nc1
InChIInChI=1S/C20H21N3/c1-2-8-17-16(6-1)7-5-9-18(17)20(19-10-3-4-11-22-19)23-14-12-21-13-15-23/h1-11,20-21H,12-15H2
InChIKeyJZIBNWXPAYRTBV-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.23
Rot. Bonds3

About 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine

1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine (PubChem CID 5023277) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
PubChem CID5023277
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine
SMILESc1ccc(C(c2cccc3ccccc23)N2CCNCC2)nc1
InChIInChI=1S/C20H21N3/c1-2-8-17-16(6-1)7-5-9-18(17)20(19-10-3-4-11-22-19)23-14-12-21-13-15-23/h1-11,20-21H,12-15H2
InChIKeyJZIBNWXPAYRTBV-UHFFFAOYSA-N
XLogP3.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperazine
CID 5023904
1-[(2-methylphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 5106735
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
1-[(S)-pyridin-2-yl(thiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171287163
1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3657426
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
1-[(5-chlorothiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5238148
1-[(4-fluorophenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3730605
1-[(1S)-2-fluoro-1-pyridin-2-ylethyl]piperazine;dihydrochloride
CID 171287156
1-[(4-methylthiophen-2-yl)-naphthalen-1-ylmethyl]piperazine
CID 5112017
1-[(5-fluoro-2-methoxyphenyl)-pyridin-2-ylmethyl]-1,4-diazepane
CID 4550938
1-[(1R)-1-naphthalen-1-ylprop-2-enyl]piperazine;dihydrochloride
CID 171294037

Frequently Asked Questions

What is the IUPAC name of 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine?
The IUPAC name of 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine (CID 5023277) is 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine.
What is the SMILES notation for 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine?
The canonical SMILES for 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine is c1ccc(C(c2cccc3ccccc23)N2CCNCC2)nc1.
What is the InChIKey of 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine?
The InChIKey is JZIBNWXPAYRTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-2-8-17-16(6-1)7-5-9-18(17)20(19-10-3-4-11-22-19)23-14-12-21-13-15-23/h1-11,20-21H,12-15H2.
What are the key properties of 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine?
1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine has a molecular weight of 303.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[naphthalen-1-yl(pyridin-2-yl)methyl]piperazine is sourced from PubChem (CID 5023277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).