(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine

C11H15Cl2N3 — CID 104975594

IUPAC(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2nc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C11H15Cl2N3/c1-8-6-16(5-4-14-8)7-10-9(12)2-3-11(13)15-10/h2-3,8,14H,4-7H2,1H3/t8-/m1/s1
InChIKeyOJPCUTWFPVDCQG-MRVPVSSYSA-N
MW260.17 g/mol
LogP2.18
Rot. Bonds2

About (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine

(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine (PubChem CID 104975594) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
PubChem CID104975594
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine
SMILESC[C@@H]1CN(Cc2nc(Cl)ccc2Cl)CCN1
InChIInChI=1S/C11H15Cl2N3/c1-8-6-16(5-4-14-8)7-10-9(12)2-3-11(13)15-10/h2-3,8,14H,4-7H2,1H3/t8-/m1/s1
InChIKeyOJPCUTWFPVDCQG-MRVPVSSYSA-N
XLogP2.18
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.18
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

3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3S)-1-[(6-chloro-2-pyridinyl)methyl]-3-methylpiperazine
CID 104976962
4-[(3,6-dichloro-2-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 55127533
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 94889758
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
3,6-dichloro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]pyridine
CID 64570103
6-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
CID 104977266
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
3-chloro-4-methyl-2-[(3-methylpiperazin-1-yl)methyl]quinoline;dihydrochloride
CID 119924677
4-[(3,6-dichloro-2-pyridinyl)methyl]thiomorpholine
CID 62893021
(3S)-1-benzyl-3-methylpiperazine;hydrochloride
CID 52982949
1-benzyl-3-methylpiperazine;ethane
CID 166543639

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine?
The IUPAC name of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine (CID 104975594) is (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine.
What is the SMILES notation for (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine?
The canonical SMILES for (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine is C[C@@H]1CN(Cc2nc(Cl)ccc2Cl)CCN1.
What is the InChIKey of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine?
The InChIKey is OJPCUTWFPVDCQG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15Cl2N3/c1-8-6-16(5-4-14-8)7-10-9(12)2-3-11(13)15-10/h2-3,8,14H,4-7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine?
(3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine has a molecular weight of 260.17 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazine is sourced from PubChem (CID 104975594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).