1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine

C16H23Cl2N3 — CID 171277386

IUPAC1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
SMILESClc1cncc(Cl)c1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H23Cl2N3/c17-13-10-20-11-14(18)15(13)16(12-4-2-1-3-5-12)21-8-6-19-7-9-21/h10-12,16,19H,1-9H2/t16-/m0/s1
InChIKeyYTJIICFYAGXGOB-INIZCTEOSA-N
MW328.29 g/mol
LogP3.91
Rot. Bonds3

About 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine

1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine (PubChem CID 171277386) has the molecular formula C16H23Cl2N3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
PubChem CID171277386
Molecular FormulaC16H23Cl2N3
Molecular Weight328.29 g/mol
Exact Mass327.13
IUPAC Name1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine
SMILESClc1cncc(Cl)c1[C@H](C1CCCCC1)N1CCNCC1
InChIInChI=1S/C16H23Cl2N3/c17-13-10-20-11-14(18)15(13)16(12-4-2-1-3-5-12)21-8-6-19-7-9-21/h10-12,16,19H,1-9H2/t16-/m0/s1
InChIKeyYTJIICFYAGXGOB-INIZCTEOSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-cyclopentyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
CID 171290187
1-[(S)-(3-chloro-4-pyridinyl)-cyclohexylmethyl]piperazine;dihydrochloride
CID 171273012
1-[(R)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine
CID 171290183
1-[(S)-(2-chloro-6-fluorophenyl)-cyclohexylmethyl]piperazine
CID 171163179
1-[(R)-(3-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine
CID 171171500
1-[(S)-(4-chloro-2,6-difluorophenyl)-cyclohexylmethyl]piperazine;hydrochloride
CID 171166960
1-[(R)-cyclohexyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171287555
1-[(S)-cyclopropyl-(2,3,5-trichloro-4-pyridinyl)methyl]piperazine;dihydrochloride
CID 171277559
1-[(S)-(2-chloro-6-methylphenyl)-cyclopentylmethyl]piperazine
CID 171280833
1-[(S)-cyclopentyl-(3,4-dichlorophenyl)methyl]piperazine;dihydrochloride
CID 171274925
1-[(S)-cyclopentyl-(2,3-dichloro-6-fluorophenyl)methyl]piperazine;hydrochloride
CID 171167632
1-[(1S)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine
CID 171289999

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine (CID 171277386) is 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine is Clc1cncc(Cl)c1[C@H](C1CCCCC1)N1CCNCC1.
What is the InChIKey of 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine?
The InChIKey is YTJIICFYAGXGOB-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23Cl2N3/c17-13-10-20-11-14(18)15(13)16(12-4-2-1-3-5-12)21-8-6-19-7-9-21/h10-12,16,19H,1-9H2/t16-/m0/s1.
What are the key properties of 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine?
1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine has a molecular weight of 328.29 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-cyclohexyl-(3,5-dichloro-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 171277386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).