3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine

C17H20ClN3O — CID 155800170

IUPAC3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
SMILESCc1cnccc1OCC1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C17H20ClN3O/c1-13-10-19-7-3-17(13)22-12-14-4-8-21(9-5-14)16-2-6-20-11-15(16)18/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3
InChIKeyJJGUGJCVFJYPCZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.73
Rot. Bonds4

About 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine

3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine (PubChem CID 155800170) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
PubChem CID155800170
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
SMILESCc1cnccc1OCC1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C17H20ClN3O/c1-13-10-19-7-3-17(13)22-12-14-4-8-21(9-5-14)16-2-6-20-11-15(16)18/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3
InChIKeyJJGUGJCVFJYPCZ-UHFFFAOYSA-N
XLogP3.73
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519
4-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]-3-methylpyridine
CID 155974715
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
2-cyclopropyl-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 155800048
3-methyl-4-(piperidin-4-ylmethoxy)pyridine;dihydrochloride
CID 154582386
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 154829498
4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]furo[3,2-c]pyridine
CID 155974905
3-[[1-(3-chloro-4-pyridinyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940695
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-ethylpyrimidine
CID 154829545
N,N-dimethyl-6-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidin-4-amine
CID 163343998
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 155800726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine?
The IUPAC name of 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine (CID 155800170) is 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine.
What is the SMILES notation for 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine?
The canonical SMILES for 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine is Cc1cnccc1OCC1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine?
The InChIKey is JJGUGJCVFJYPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-13-10-19-7-3-17(13)22-12-14-4-8-21(9-5-14)16-2-6-20-11-15(16)18/h2-3,6-7,10-11,14H,4-5,8-9,12H2,1H3.
What are the key properties of 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine?
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine has a molecular weight of 317.82 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine is sourced from PubChem (CID 155800170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).