1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride

C20H28Cl2N2 — CID 171292446

IUPAC1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
SMILESCc1ccc([C@@H](CC2CC2)N2CCNCC2)c2ccccc12.Cl.Cl
InChIInChI=1S/C20H26N2.2ClH/c1-15-6-9-19(18-5-3-2-4-17(15)18)20(14-16-7-8-16)22-12-10-21-11-13-22;;/h2-6,9,16,20-21H,7-8,10-14H2,1H3;2*1H/t20-;;/m1../s1
InChIKeyIGHJIWQIPOEUPU-FAVHNTAZSA-N
MW367.36 g/mol
LogP4.74
Rot. Bonds4

About 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride

1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride (PubChem CID 171292446) has the molecular formula C20H28Cl2N2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
PubChem CID171292446
Molecular FormulaC20H28Cl2N2
Molecular Weight367.36 g/mol
Exact Mass366.16
IUPAC Name1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride
SMILESCc1ccc([C@@H](CC2CC2)N2CCNCC2)c2ccccc12.Cl.Cl
InChIInChI=1S/C20H26N2.2ClH/c1-15-6-9-19(18-5-3-2-4-17(15)18)20(14-16-7-8-16)22-12-10-21-11-13-22;;/h2-6,9,16,20-21H,7-8,10-14H2,1H3;2*1H/t20-;;/m1../s1
InChIKeyIGHJIWQIPOEUPU-FAVHNTAZSA-N
XLogP4.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
CID 171180290
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
1-[(1S)-3,3,3-trifluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine;hydrochloride
CID 171165950
1-[(1R)-1-(4-methylnaphthalen-1-yl)pentyl]piperazine
CID 171308015
6-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2-fluoro-3-methylphenol
CID 171297905
1-[(1S)-2-cyclopropyl-1-(2,3,4-trimethoxyphenyl)ethyl]piperazine
CID 171273829
1-[(R)-(4-methylnaphthalen-1-yl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171292440
1-[(1S)-2-cyclopropyl-1-(2-fluoro-4-methylphenyl)ethyl]piperazine;hydrochloride
CID 171163632
1-[(1S)-2-cyclopropyl-1-(3-fluoro-2-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171163509
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
1-[(1S)-2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]ethyl]piperazine;hydrochloride
CID 171165085
1-[(1S)-1-(2-bromo-4-methylphenyl)-2-cyclopropylethyl]piperazine
CID 171275502

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride (CID 171292446) is 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride is Cc1ccc([C@@H](CC2CC2)N2CCNCC2)c2ccccc12.Cl.Cl.
What is the InChIKey of 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
The InChIKey is IGHJIWQIPOEUPU-FAVHNTAZSA-N. The full InChI is InChI=1S/C20H26N2.2ClH/c1-15-6-9-19(18-5-3-2-4-17(15)18)20(14-16-7-8-16)22-12-10-21-11-13-22;;/h2-6,9,16,20-21H,7-8,10-14H2,1H3;2*1H/t20-;;/m1../s1.
What are the key properties of 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride has a molecular weight of 367.36 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-cyclopropyl-1-(4-methylnaphthalen-1-yl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171292446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).