1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine

C19H24N2O — CID 171284275

IUPAC1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
SMILESCOc1ccc([C@H](C2CC2)N2CCNCC2)c2ccccc12
InChIInChI=1S/C19H24N2O/c1-22-18-9-8-17(15-4-2-3-5-16(15)18)19(14-6-7-14)21-12-10-20-11-13-21/h2-5,8-9,14,19-20H,6-7,10-13H2,1H3/t19-/m0/s1
InChIKeyCMLIYBLWNWZEEA-IBGZPJMESA-N
MW296.41 g/mol
LogP3.20
Rot. Bonds4

About 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine

1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine (PubChem CID 171284275) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
PubChem CID171284275
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
SMILESCOc1ccc([C@H](C2CC2)N2CCNCC2)c2ccccc12
InChIInChI=1S/C19H24N2O/c1-22-18-9-8-17(15-4-2-3-5-16(15)18)19(14-6-7-14)21-12-10-20-11-13-21/h2-5,8-9,14,19-20H,6-7,10-13H2,1H3/t19-/m0/s1
InChIKeyCMLIYBLWNWZEEA-IBGZPJMESA-N
XLogP3.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-cyclopropyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286441
1-[(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171273819
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
1-[(S)-cyclopentyl-(2,3-dimethoxyphenyl)methyl]piperazine
CID 171273356
1-[(1R)-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171296885
1-[(R)-(2-chloro-3,4-dimethoxyphenyl)-cyclopentylmethyl]piperazine
CID 171288017
1-[(1S)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropyl]piperazine
CID 171284295
1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171177719
1-[(R)-cyclopropyl-(2,4,5-trimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286189
1-[(1S)-1-(4-methoxynaphthalen-1-yl)butyl]piperazine;dihydrochloride
CID 171284290
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]naphthalen-1-ol;dihydrochloride
CID 171292394
1-[(R)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine (CID 171284275) is 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine is COc1ccc([C@H](C2CC2)N2CCNCC2)c2ccccc12.
What is the InChIKey of 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine?
The InChIKey is CMLIYBLWNWZEEA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-18-9-8-17(15-4-2-3-5-16(15)18)19(14-6-7-14)21-12-10-20-11-13-21/h2-5,8-9,14,19-20H,6-7,10-13H2,1H3/t19-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine?
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine has a molecular weight of 296.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine is sourced from PubChem (CID 171284275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).