1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride

C20H28Cl2N2O — CID 171281433

IUPAC1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc2c([C@H](C3CCOCC3)N3CCNCC3)cccc2c1
InChIInChI=1S/C20H26N2O.2ClH/c1-2-6-18-16(4-1)5-3-7-19(18)20(17-8-14-23-15-9-17)22-12-10-21-11-13-22;;/h1-7,17,20-21H,8-15H2;2*1H/t20-;;/m0../s1
InChIKeyCHQVTRORZIHZKV-FJSYBICCSA-N
MW383.36 g/mol
LogP4.06
Rot. Bonds3

About 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride

1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride (PubChem CID 171281433) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
PubChem CID171281433
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC Name1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc2c([C@H](C3CCOCC3)N3CCNCC3)cccc2c1
InChIInChI=1S/C20H26N2O.2ClH/c1-2-6-18-16(4-1)5-3-7-19(18)20(17-8-14-23-15-9-17)22-12-10-21-11-13-22;;/h1-7,17,20-21H,8-15H2;2*1H/t20-;;/m0../s1
InChIKeyCHQVTRORZIHZKV-FJSYBICCSA-N
XLogP4.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-(2-iodophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171293298
1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171292440
3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]benzene-1,2-diol;dihydrochloride
CID 171287326
1-[(S)-(2-nitrophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171272637
1-methyl-3-[(R)-oxan-4-yl(piperazin-1-yl)methyl]indole
CID 171291370
1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171281259
2-ethoxy-6-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171284023
1-[(S)-oxan-4-yl-[2-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171280476
2-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171294267
1-[(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171279258
1-[(S)-[2-(4-chlorophenyl)sulfanylphenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171283412
3-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272818

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride (CID 171281433) is 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride is Cl.Cl.c1ccc2c([C@H](C3CCOCC3)N3CCNCC3)cccc2c1.
What is the InChIKey of 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride?
The InChIKey is CHQVTRORZIHZKV-FJSYBICCSA-N. The full InChI is InChI=1S/C20H26N2O.2ClH/c1-2-6-18-16(4-1)5-3-7-19(18)20(17-8-14-23-15-9-17)22-12-10-21-11-13-22;;/h1-7,17,20-21H,8-15H2;2*1H/t20-;;/m0../s1.
What are the key properties of 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride?
1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride has a molecular weight of 383.36 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-naphthalen-1-yl(oxan-4-yl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171281433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).