1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine

C20H26N2O — CID 171282396

IUPAC1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
SMILESCCOc1ccc2ccccc2c1[C@H](C1CC1)N1CCNCC1
InChIInChI=1S/C20H26N2O/c1-2-23-18-10-9-15-5-3-4-6-17(15)19(18)20(16-7-8-16)22-13-11-21-12-14-22/h3-6,9-10,16,20-21H,2,7-8,11-14H2,1H3/t20-/m0/s1
InChIKeyHATQCQFEHPFYBQ-FQEVSTJZSA-N
MW310.44 g/mol
LogP3.59
Rot. Bonds5

About 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine

1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine (PubChem CID 171282396) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
PubChem CID171282396
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
SMILESCCOc1ccc2ccccc2c1[C@H](C1CC1)N1CCNCC1
InChIInChI=1S/C20H26N2O/c1-2-23-18-10-9-15-5-3-4-6-17(15)19(18)20(16-7-8-16)22-13-11-21-12-14-22/h3-6,9-10,16,20-21H,2,7-8,11-14H2,1H3/t20-/m0/s1
InChIKeyHATQCQFEHPFYBQ-FQEVSTJZSA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-2-cyclopropyl-1-(2-ethoxynaphthalen-1-yl)ethyl]piperazine;dihydrochloride
CID 171295033
1-[(1R)-1-(2-ethoxynaphthalen-1-yl)-3-methylbutyl]piperazine
CID 171295034
(3R)-3-(2-ethoxynaphthalen-1-yl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190278
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)hexyl]piperazine;dihydrochloride
CID 171309582
1-[(1S)-1-(2-ethoxynaphthalen-1-yl)pent-4-enyl]piperazine
CID 171282418
1-[(R)-cyclopentyl-(2-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171288190
1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine
CID 171284710
1-[(S)-cyclopropyl-(4-methoxynaphthalen-1-yl)methyl]piperazine
CID 171284275
1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride
CID 171272083
1-[(S)-(2-ethoxynaphthalen-1-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171282409
1-[(1S)-1-(2-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171282087
(S)-cyclobutyl-(2-ethoxynaphthalen-1-yl)methanamine;hydrochloride
CID 171233021

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine (CID 171282396) is 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine is CCOc1ccc2ccccc2c1[C@H](C1CC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine?
The InChIKey is HATQCQFEHPFYBQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N2O/c1-2-23-18-10-9-15-5-3-4-6-17(15)19(18)20(16-7-8-16)22-13-11-21-12-14-22/h3-6,9-10,16,20-21H,2,7-8,11-14H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine?
1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine has a molecular weight of 310.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine is sourced from PubChem (CID 171282396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).