cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone

C16H22N2O2 — CID 126872697

IUPACcyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
SMILESCc1cccnc1OCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H22N2O2/c1-12-3-2-8-17-15(12)20-11-13-6-9-18(10-7-13)16(19)14-4-5-14/h2-3,8,13-14H,4-7,9-11H2,1H3
InChIKeyHGPNWEYXNWSAPP-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.42
Rot. Bonds4

About cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone

cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone (PubChem CID 126872697) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
PubChem CID126872697
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Namecyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone
SMILESCc1cccnc1OCC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H22N2O2/c1-12-3-2-8-17-15(12)20-11-13-6-9-18(10-7-13)16(19)14-4-5-14/h2-3,8,13-14H,4-7,9-11H2,1H3
InChIKeyHGPNWEYXNWSAPP-UHFFFAOYSA-N
XLogP2.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone (CID 126872697) is cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone is Cc1cccnc1OCC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone?
The InChIKey is HGPNWEYXNWSAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-3-2-8-17-15(12)20-11-13-6-9-18(10-7-13)16(19)14-4-5-14/h2-3,8,13-14H,4-7,9-11H2,1H3.
What are the key properties of cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 126872697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).