3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine

C12H16Cl2N2 — CID 114682329

IUPAC3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CN(Cc2ccncc2Cl)CCC1Cl
InChIInChI=1S/C12H16Cl2N2/c1-9-7-16(5-3-11(9)13)8-10-2-4-15-6-12(10)14/h2,4,6,9,11H,3,5,7-8H2,1H3
InChIKeySOGISAGILJRSBO-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.18
Rot. Bonds2

About 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine

3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine (PubChem CID 114682329) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
PubChem CID114682329
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
SMILESCC1CN(Cc2ccncc2Cl)CCC1Cl
InChIInChI=1S/C12H16Cl2N2/c1-9-7-16(5-3-11(9)13)8-10-2-4-15-6-12(10)14/h2,4,6,9,11H,3,5,7-8H2,1H3
InChIKeySOGISAGILJRSBO-UHFFFAOYSA-N
XLogP3.18
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 79031489
4-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidine
CID 114682230
1-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]piperidin-4-amine
CID 80553973
4-[[4-(1-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 106838415
1-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-N-methylmethanamine;dihydrochloride
CID 119914421
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]acetic acid
CID 79608115
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]oxy-5-methylpyrimidine
CID 136551054
[1-[(3-chloro-4-pyridinyl)methyl]piperidin-4-yl]methanesulfonamide
CID 71906954
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
3-bromo-5-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine
CID 114682308

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine?
The IUPAC name of 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine (CID 114682329) is 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine.
What is the SMILES notation for 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine?
The canonical SMILES for 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine is CC1CN(Cc2ccncc2Cl)CCC1Cl.
What is the InChIKey of 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine?
The InChIKey is SOGISAGILJRSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c1-9-7-16(5-3-11(9)13)8-10-2-4-15-6-12(10)14/h2,4,6,9,11H,3,5,7-8H2,1H3.
What are the key properties of 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine?
3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine has a molecular weight of 259.18 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chloro-3-methylpiperidin-1-yl)methyl]pyridine is sourced from PubChem (CID 114682329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).