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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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).