3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine

C19H27N3O — CID 54855934

IUPAC3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
SMILESCOc1ccc2ccccc2c1CN1CCN(CCCN)CC1
InChIInChI=1S/C19H27N3O/c1-23-19-8-7-16-5-2-3-6-17(16)18(19)15-22-13-11-21(12-14-22)10-4-9-20/h2-3,5-8H,4,9-15,20H2,1H3
InChIKeyITSFZXLRAAMILM-UHFFFAOYSA-N
MW313.44 g/mol
LogP2.31
Rot. Bonds6

About 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine

3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine (PubChem CID 54855934) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
PubChem CID54855934
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
SMILESCOc1ccc2ccccc2c1CN1CCN(CCCN)CC1
InChIInChI=1S/C19H27N3O/c1-23-19-8-7-16-5-2-3-6-17(16)18(19)15-22-13-11-21(12-14-22)10-4-9-20/h2-3,5-8H,4,9-15,20H2,1H3
InChIKeyITSFZXLRAAMILM-UHFFFAOYSA-N
XLogP2.31
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192
(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
CID 1112882
2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 112800157
(1R,3S)-3-(2-aminoethoxy)-7-[(2-methoxynaphthalen-1-yl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70784577
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
CID 6733025
1-[(E)-3-(2-bromophenyl)prop-2-enyl]-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine;hydrochloride
CID 67351449
N-[(2-methoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine chloride
CID 53350960
4-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-2-(3-methoxypropyl)isoindole-1,3-dione
CID 30854081
3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856112
3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43646650

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine (CID 54855934) is 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine is COc1ccc2ccccc2c1CN1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine?
The InChIKey is ITSFZXLRAAMILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-23-19-8-7-16-5-2-3-6-17(16)18(19)15-22-13-11-21(12-14-22)10-4-9-20/h2-3,5-8H,4,9-15,20H2,1H3.
What are the key properties of 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine?
3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine has a molecular weight of 313.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 54855934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).