2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine

C18H24N2OS — CID 22678701

IUPAC2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ncccc1CN1CCC(CCc2ccsc2)CC1
InChIInChI=1S/C18H24N2OS/c1-21-18-17(3-2-9-19-18)13-20-10-6-15(7-11-20)4-5-16-8-12-22-14-16/h2-3,8-9,12,14-15H,4-7,10-11,13H2,1H3
InChIKeyDFNCBVJZTHZQBZ-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.00
Rot. Bonds6

About 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine

2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 22678701) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine
PubChem CID22678701
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine
SMILESCOc1ncccc1CN1CCC(CCc2ccsc2)CC1
InChIInChI=1S/C18H24N2OS/c1-21-18-17(3-2-9-19-18)13-20-10-6-15(7-11-20)4-5-16-8-12-22-14-16/h2-3,8-9,12,14-15H,4-7,10-11,13H2,1H3
InChIKeyDFNCBVJZTHZQBZ-UHFFFAOYSA-N
XLogP4.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 22678532
methyl 3-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]propanoate
CID 22678299
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
3-[[3-(2-chloroethyl)pyrrolidin-1-yl]methyl]-2-methoxypyridine
CID 114800698
N-(cyclohexylmethyl)-2-[2-[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]ethyl]-N-methylaniline
CID 22678494
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 136537455
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
3-[[4-(2-chloroethoxy)piperidin-1-yl]methyl]-2-methoxypyridine
CID 82701884
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
3-(2-cyclopropylethyl)thiophene
CID 159324839
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine (CID 22678701) is 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine is COc1ncccc1CN1CCC(CCc2ccsc2)CC1.
What is the InChIKey of 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is DFNCBVJZTHZQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-21-18-17(3-2-9-19-18)13-20-10-6-15(7-11-20)4-5-16-8-12-22-14-16/h2-3,8-9,12,14-15H,4-7,10-11,13H2,1H3.
What are the key properties of 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine?
2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 316.47 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[4-(2-thiophen-3-ylethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 22678701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).