2-[(6-methoxynaphthalen-2-yl)methyl]piperazine

C16H20N2O — CID 116825348

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl]piperazine
SMILESCOc1ccc2cc(CC3CNCCN3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-19-16-5-4-13-8-12(2-3-14(13)10-16)9-15-11-17-6-7-18-15/h2-5,8,10,15,17-18H,6-7,9,11H2,1H3
InChIKeyLZYHNXAPQGRZPM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.95
Rot. Bonds3

About 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine

2-[(6-methoxynaphthalen-2-yl)methyl]piperazine (PubChem CID 116825348) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl]piperazine
PubChem CID116825348
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl]piperazine
SMILESCOc1ccc2cc(CC3CNCCN3)ccc2c1
InChIInChI=1S/C16H20N2O/c1-19-16-5-4-13-8-12(2-3-14(13)10-16)9-15-11-17-6-7-18-15/h2-5,8,10,15,17-18H,6-7,9,11H2,1H3
InChIKeyLZYHNXAPQGRZPM-UHFFFAOYSA-N
XLogP1.95
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84637870
2-methyl-5-(piperazin-2-ylmethyl)phenol
CID 22342761
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
2-[(4-methoxyphenyl)methyl]azetidine
CID 71756117
(2S)-2-[(4-bromophenyl)methyl]piperazine
CID 69489620
(2S)-2-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13-pentazacyclopentadecane
CID 15386758
(2S)-2-[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 174210894
4-(1,4,7,10,13,16-hexazacyclooctadec-2-ylmethyl)aniline
CID 139968432
[4-[[(2R)-piperazin-2-yl]methyl]phenyl] trifluoromethanesulfonate
CID 87722775
1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
CID 125118230
2-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidine
CID 82341654
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperazine
CID 116825316

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine (CID 116825348) is 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine is COc1ccc2cc(CC3CNCCN3)ccc2c1.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine?
The InChIKey is LZYHNXAPQGRZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-16-5-4-13-8-12(2-3-14(13)10-16)9-15-11-17-6-7-18-15/h2-5,8,10,15,17-18H,6-7,9,11H2,1H3.
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine?
2-[(6-methoxynaphthalen-2-yl)methyl]piperazine has a molecular weight of 256.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl]piperazine is sourced from PubChem (CID 116825348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).