1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine

C17H23N3 — CID 116946784

IUPAC1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C(N)c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C17H23N3/c1-13(20-10-8-19-9-11-20)17(18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13,17,19H,8-11,18H2,1H3
InChIKeyHEZFVQYQTPUKQD-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.13
Rot. Bonds3

About 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine

1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine (PubChem CID 116946784) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine
PubChem CID116946784
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C(N)c1ccc2ccccc2c1)N1CCNCC1
InChIInChI=1S/C17H23N3/c1-13(20-10-8-19-9-11-20)17(18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13,17,19H,8-11,18H2,1H3
InChIKeyHEZFVQYQTPUKQD-UHFFFAOYSA-N
XLogP2.13
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-naphthalen-2-ylethyl]piperazine
CID 93464443
1-(1-naphthalen-2-ylethyl)-1,4-diazepane
CID 61058086
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946740
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
CID 171287522
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
CID 171175433
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
1-[naphthalen-2-yl-(4-phenylphenyl)methyl]piperazine
CID 5211839
1-naphthalen-2-yl-1-piperazin-1-ylbutan-2-one
CID 70916217

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine (CID 116946784) is 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine is CC(C(N)c1ccc2ccccc2c1)N1CCNCC1.
What is the InChIKey of 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is HEZFVQYQTPUKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-13(20-10-8-19-9-11-20)17(18)16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12-13,17,19H,8-11,18H2,1H3.
What are the key properties of 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine?
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).