1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine

C18H22F2N2 — CID 171180290

IUPAC1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
SMILESCc1ccc([C@H](CC(F)F)N2CCNCC2)c2ccccc12
InChIInChI=1S/C18H22F2N2/c1-13-6-7-16(15-5-3-2-4-14(13)15)17(12-18(19)20)22-10-8-21-9-11-22/h2-7,17-18,21H,8-12H2,1H3/t17-/m0/s1
InChIKeyWLTNFMHFQUIINS-KRWDZBQOSA-N
MW304.38 g/mol
LogP3.75
Rot. Bonds4

About 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine

1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine (PubChem CID 171180290) has the molecular formula C18H22F2N2 and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
PubChem CID171180290
Molecular FormulaC18H22F2N2
Molecular Weight304.38 g/mol
Exact Mass304.18
IUPAC Name1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
SMILESCc1ccc([C@H](CC(F)F)N2CCNCC2)c2ccccc12
InChIInChI=1S/C18H22F2N2/c1-13-6-7-16(15-5-3-2-4-14(13)15)17(12-18(19)20)22-10-8-21-9-11-22/h2-7,17-18,21H,8-12H2,1H3/t17-/m0/s1
InChIKeyWLTNFMHFQUIINS-KRWDZBQOSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171292446
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171165950
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
CID 171308015
1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine
CID 171177675
1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine;hydrochloride
CID 171177676
1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine
CID 171177405
1-[(1R)-2,2,2-trifluoro-1-(4-methylnaphthalen-1-yl)ethyl]piperazine
CID 171180294
1-[(1S)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine;hydrochloride
CID 171180808
1-[(1R)-3,3-difluoro-1-(4-methoxy-2-methylphenyl)propyl]piperazine
CID 171177753
1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171174919
1-[(1S)-2-methyl-1-(4-methylnaphthalen-1-yl)butyl]piperazine
CID 171305440

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine?
The IUPAC name of 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine (CID 171180290) is 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine.
What is the SMILES notation for 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine?
The canonical SMILES for 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine is Cc1ccc([C@H](CC(F)F)N2CCNCC2)c2ccccc12.
What is the InChIKey of 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine?
The InChIKey is WLTNFMHFQUIINS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22F2N2/c1-13-6-7-16(15-5-3-2-4-14(13)15)17(12-18(19)20)22-10-8-21-9-11-22/h2-7,17-18,21H,8-12H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine?
1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine has a molecular weight of 304.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine is sourced from PubChem (CID 171180290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).