2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine

C13H19ClN2O — CID 82701061

IUPAC2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
SMILESCc1ccnc(N2CCC(OCCCl)CC2)c1
InChIInChI=1S/C13H19ClN2O/c1-11-2-6-15-13(10-11)16-7-3-12(4-8-16)17-9-5-14/h2,6,10,12H,3-5,7-9H2,1H3
InChIKeyYGVMZXLRJJQURY-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.61
Rot. Bonds4

About 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine

2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine (PubChem CID 82701061) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine.

Molecular Properties

Compound Name2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
PubChem CID82701061
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine
SMILESCc1ccnc(N2CCC(OCCCl)CC2)c1
InChIInChI=1S/C13H19ClN2O/c1-11-2-6-15-13(10-11)16-7-3-12(4-8-16)17-9-5-14/h2,6,10,12H,3-5,7-9H2,1H3
InChIKeyYGVMZXLRJJQURY-UHFFFAOYSA-N
XLogP2.61
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-bromoethoxy)piperidin-1-yl]-4-methylpyridine
CID 82701052
3-[4-(2-chloroethoxy)piperidin-1-yl]-6-methylpyridazine
CID 82701305
4-(chloromethyl)-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61257242
4-[4-(2-chloroethoxy)piperidin-1-yl]-6-ethoxypyrimidine
CID 82702047
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
5-tert-butyl-2-[4-(2-chloroethoxy)piperidin-1-yl]pyridine
CID 107875613
2-methyl-N-[[1-(4-methyl-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593726
2-[1-(4-amino-2-pyridinyl)piperidin-4-yl]oxyethanol
CID 82695712
2-[4-(difluoromethyl)piperidin-1-yl]-4-methylpyridine
CID 171993927
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride
CID 22064868
1-(4-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 62917147
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine?
The IUPAC name of 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine (CID 82701061) is 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine.
What is the SMILES notation for 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine?
The canonical SMILES for 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine is Cc1ccnc(N2CCC(OCCCl)CC2)c1.
What is the InChIKey of 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine?
The InChIKey is YGVMZXLRJJQURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-11-2-6-15-13(10-11)16-7-3-12(4-8-16)17-9-5-14/h2,6,10,12H,3-5,7-9H2,1H3.
What are the key properties of 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine?
2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine has a molecular weight of 254.76 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroethoxy)piperidin-1-yl]-4-methylpyridine is sourced from PubChem (CID 82701061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).