1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine

C24H28N2 — CID 171284710

IUPAC1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine
SMILESc1ccc2c([C@@H](C3CCCC3)N3CCNCC3)c3ccccc3cc2c1
InChIInChI=1S/C24H28N2/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/t24-/m1/s1
InChIKeyPIQAMWRMAWLOEK-XMMPIXPASA-N
MW344.50 g/mol
LogP5.13
Rot. Bonds3

About 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine

1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine (PubChem CID 171284710) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine
PubChem CID171284710
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine
SMILESc1ccc2c([C@@H](C3CCCC3)N3CCNCC3)c3ccccc3cc2c1
InChIInChI=1S/C24H28N2/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/t24-/m1/s1
InChIKeyPIQAMWRMAWLOEK-XMMPIXPASA-N
XLogP5.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.13
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-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride
CID 171272083
1-[(S)-cyclopentyl(naphthalen-2-yl)methyl]piperazine;dihydrochloride
CID 171274893
1-[(R)-cyclohexyl(naphthalen-2-yl)methyl]piperazine
CID 171287522
1-[(S)-cyclohexyl-(2,6-dimethylphenyl)methyl]piperazine
CID 171277119
1-[(S)-cyclopropyl-(2-ethoxynaphthalen-1-yl)methyl]piperazine
CID 171282396
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(S)-cyclobutyl-(2,6-difluorophenyl)methyl]piperazine
CID 171179290
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]benzene-1,3,5-triol
CID 171284672
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]quinoline;dihydrochloride
CID 171297216
1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride
CID 171181642
1-[(R)-cyclopentyl-(2,3,6-trifluorophenyl)methyl]piperazine
CID 171170017
1-[(S)-cyclopentyl-(2-methylphenyl)methyl]piperazine
CID 171280314

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine?
The IUPAC name of 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine (CID 171284710) is 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine is c1ccc2c([C@@H](C3CCCC3)N3CCNCC3)c3ccccc3cc2c1.
What is the InChIKey of 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine?
The InChIKey is PIQAMWRMAWLOEK-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N2/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/t24-/m1/s1.
What are the key properties of 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine?
1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine has a molecular weight of 344.50 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-anthracen-9-yl(cyclopentyl)methyl]piperazine is sourced from PubChem (CID 171284710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).