2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile

C18H19ClN4O — CID 154829498

IUPAC2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC(COc3ccncc3Cl)CC2)n1
InChIInChI=1S/C18H19ClN4O/c1-13-2-3-15(10-20)18(22-13)23-8-5-14(6-9-23)12-24-17-4-7-21-11-16(17)19/h2-4,7,11,14H,5-6,8-9,12H2,1H3
InChIKeyULIQHTZLSLOTFX-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.61
Rot. Bonds4

About 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile

2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile (PubChem CID 154829498) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
PubChem CID154829498
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(N2CCC(COc3ccncc3Cl)CC2)n1
InChIInChI=1S/C18H19ClN4O/c1-13-2-3-15(10-20)18(22-13)23-8-5-14(6-9-23)12-24-17-4-7-21-11-16(17)19/h2-4,7,11,14H,5-6,8-9,12H2,1H3
InChIKeyULIQHTZLSLOTFX-UHFFFAOYSA-N
XLogP3.61
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
CID 154829675
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-[1,3]thiazolo[4,5-c]pyridine
CID 154830114
2-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 70748738
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-ethylpyrimidine
CID 154829545
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-cyclopropylpyrimidine
CID 154829517
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
2-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetaldehyde
CID 158047653
3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 154831232
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile (CID 154829498) is 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(N2CCC(COc3ccncc3Cl)CC2)n1.
What is the InChIKey of 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
The InChIKey is ULIQHTZLSLOTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-13-2-3-15(10-20)18(22-13)23-8-5-14(6-9-23)12-24-17-4-7-21-11-16(17)19/h2-4,7,11,14H,5-6,8-9,12H2,1H3.
What are the key properties of 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile?
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile has a molecular weight of 342.83 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 154829498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).