3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine

C14H21ClN2O2 — CID 82701884

IUPAC3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncccc1CN1CCC(OCCCl)CC1
InChIInChI=1S/C14H21ClN2O2/c1-18-14-12(3-2-7-16-14)11-17-8-4-13(5-9-17)19-10-6-15/h2-3,7,13H,4-6,8-11H2,1H3
InChIKeyIOWRKPQRMCWBSK-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.31
Rot. Bonds6

About 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine

3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine (PubChem CID 82701884) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine.

Molecular Properties

Compound Name3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
PubChem CID82701884
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
SMILESCOc1ncccc1CN1CCC(OCCCl)CC1
InChIInChI=1S/C14H21ClN2O2/c1-18-14-12(3-2-7-16-14)11-17-8-4-13(5-9-17)19-10-6-15/h2-3,7,13H,4-6,8-11H2,1H3
InChIKeyIOWRKPQRMCWBSK-UHFFFAOYSA-N
XLogP2.31
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine 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

3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 114800698
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
6-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]quinoline
CID 82684729
2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 22678532
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
(3aS,6aR)-2-[(2-methoxy-3-pyridinyl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457922
[3-[(4-ethoxypiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62470788
1-(2-bromoethyl)-4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 80667519

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine?
The IUPAC name of 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine (CID 82701884) is 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine.
What is the SMILES notation for 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine?
The canonical SMILES for 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine is COc1ncccc1CN1CCC(OCCCl)CC1.
What is the InChIKey of 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine?
The InChIKey is IOWRKPQRMCWBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-18-14-12(3-2-7-16-14)11-17-8-4-13(5-9-17)19-10-6-15/h2-3,7,13H,4-6,8-11H2,1H3.
What are the key properties of 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine?
3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine has a molecular weight of 284.79 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine is sourced from PubChem (CID 82701884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).