1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride

C24H30Cl2N2 — CID 171272083

IUPAC1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc2c([C@H](C3CCCC3)N3CCNCC3)c3ccccc3cc2c1
InChIInChI=1S/C24H28N2.2ClH/c1-2-8-18(7-1)24(26-15-13-25-14-16-26)23-21-11-5-3-9-19(21)17-20-10-4-6-12-22(20)23;;/h3-6,9-12,17-18,24-25H,1-2,7-8,13-16H2;2*1H/t24-;;/m0../s1
InChIKeyOCIXUXDQRRQHSA-ASMAMLKCSA-N
MW417.42 g/mol
LogP5.97
Rot. Bonds3

About 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride

1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride (PubChem CID 171272083) has the molecular formula C24H30Cl2N2 and a molecular weight of 417.42 g/mol. Its IUPAC name is 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride
PubChem CID171272083
Molecular FormulaC24H30Cl2N2
Molecular Weight417.42 g/mol
Exact Mass416.18
IUPAC Name1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride
SMILESCl.Cl.c1ccc2c([C@H](C3CCCC3)N3CCNCC3)c3ccccc3cc2c1
InChIInChI=1S/C24H28N2.2ClH/c1-2-8-18(7-1)24(26-15-13-25-14-16-26)23-21-11-5-3-9-19(21)17-20-10-4-6-12-22(20)23;;/h3-6,9-12,17-18,24-25H,1-2,7-8,13-16H2;2*1H/t24-;;/m0../s1
InChIKeyOCIXUXDQRRQHSA-ASMAMLKCSA-N
XLogP5.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine
CID 171284710
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
CID 171287522
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216
1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride
CID 171181642
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(S)-cyclopentyl-(2,4,6-trimethylphenyl)methyl]piperazine;dihydrochloride
CID 171277961
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171284597
3-[(S)-cyclopentyl(piperazin-1-yl)methyl]-1-methylindole;dihydrochloride
CID 171278740
1-[(S)-cyclopentyl(pyren-1-yl)methyl]piperazine;dihydrochloride
CID 171284515
1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
CID 171282396
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride (CID 171272083) is 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride is Cl.Cl.c1ccc2c([C@H](C3CCCC3)N3CCNCC3)c3ccccc3cc2c1.
What is the InChIKey of 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride?
The InChIKey is OCIXUXDQRRQHSA-ASMAMLKCSA-N. The full InChI is InChI=1S/C24H28N2.2ClH/c1-2-8-18(7-1)24(26-15-13-25-14-16-26)23-21-11-5-3-9-19(21)17-20-10-4-6-12-22(20)23;;/h3-6,9-12,17-18,24-25H,1-2,7-8,13-16H2;2*1H/t24-;;/m0../s1.
What are the key properties of 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride?
1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride has a molecular weight of 417.42 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride is sourced from PubChem (CID 171272083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).