1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine

C15H20Cl3N3 — CID 171290187

IUPAC1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
SMILESClc1cnc(Cl)c(Cl)c1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C15H20Cl3N3/c16-11-9-20-15(18)13(17)12(11)14(10-3-1-2-4-10)21-7-5-19-6-8-21/h9-10,14,19H,1-8H2/t14-/m1/s1
InChIKeyBTNMOSXDNXXIAZ-CQSZACIVSA-N
MW348.71 g/mol
LogP4.18
Rot. Bonds3

About 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine

1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine (PubChem CID 171290187) has the molecular formula C15H20Cl3N3 and a molecular weight of 348.71 g/mol. Its IUPAC name is 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
PubChem CID171290187
Molecular FormulaC15H20Cl3N3
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
SMILESClc1cnc(Cl)c(Cl)c1[C@@H](C1CCCC1)N1CCNCC1
InChIInChI=1S/C15H20Cl3N3/c16-11-9-20-15(18)13(17)12(11)14(10-3-1-2-4-10)21-7-5-19-6-8-21/h9-10,14,19H,1-8H2/t14-/m1/s1
InChIKeyBTNMOSXDNXXIAZ-CQSZACIVSA-N
XLogP4.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[(R)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
CID 171290183
1-[(S)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine;dihydrochloride
CID 171277559
1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
CID 171277386
1-[(1S)-2-fluoro-1-(2,3,5-trichloro-4-pyridinyl)ethyl]piperazine
CID 171290179
1-[(1R)-1-(2,3,5-trichloro-4-pyridinyl)prop-2-enyl]piperazine
CID 171290173
1-[(1S)-2,2-dimethyl-1-(2,3,5-trichloro-4-pyridinyl)propyl]piperazine
CID 171277578
1-[(S)-cyclopentyl-(2,3-dichloro-6-fluorophenyl)methyl]piperazine;hydrochloride
CID 171167632
1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
CID 171280833
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(S)-(2-chloro-3,6-difluorophenyl)-cyclobutylmethyl]piperazine
CID 171180450
1-[(S)-(3-chlorothiophen-2-yl)-cyclopentylmethyl]piperazine
CID 171276236
1-[(S)-(2-chloro-3-pyridinyl)-cyclohexylmethyl]piperazine
CID 171273137

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine (CID 171290187) is 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine is Clc1cnc(Cl)c(Cl)c1[C@@H](C1CCCC1)N1CCNCC1.
What is the InChIKey of 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine?
The InChIKey is BTNMOSXDNXXIAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20Cl3N3/c16-11-9-20-15(18)13(17)12(11)14(10-3-1-2-4-10)21-7-5-19-6-8-21/h9-10,14,19H,1-8H2/t14-/m1/s1.
What are the key properties of 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine?
1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine has a molecular weight of 348.71 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 171290187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).