4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine

C17H25Cl2N3O — CID 70766602

IUPAC4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C1CCN(Cc2c(Cl)cncc2Cl)CC1)N1CCOCC1
InChIInChI=1S/C17H25Cl2N3O/c1-13(22-6-8-23-9-7-22)14-2-4-21(5-3-14)12-15-16(18)10-20-11-17(15)19/h10-11,13-14H,2-9,12H2,1H3
InChIKeyMDFINBBIIGVGHZ-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.32
Rot. Bonds4

About 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine

4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine (PubChem CID 70766602) has the molecular formula C17H25Cl2N3O and a molecular weight of 358.31 g/mol. Its IUPAC name is 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine
PubChem CID70766602
Molecular FormulaC17H25Cl2N3O
Molecular Weight358.31 g/mol
Exact Mass357.14
IUPAC Name4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine
SMILESCC(C1CCN(Cc2c(Cl)cncc2Cl)CC1)N1CCOCC1
InChIInChI=1S/C17H25Cl2N3O/c1-13(22-6-8-23-9-7-22)14-2-4-21(5-3-14)12-15-16(18)10-20-11-17(15)19/h10-11,13-14H,2-9,12H2,1H3
InChIKeyMDFINBBIIGVGHZ-UHFFFAOYSA-N
XLogP3.32
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine?
The IUPAC name of 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine (CID 70766602) is 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine.
What is the SMILES notation for 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine?
The canonical SMILES for 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine is CC(C1CCN(Cc2c(Cl)cncc2Cl)CC1)N1CCOCC1.
What is the InChIKey of 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine?
The InChIKey is MDFINBBIIGVGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O/c1-13(22-6-8-23-9-7-22)14-2-4-21(5-3-14)12-15-16(18)10-20-11-17(15)19/h10-11,13-14H,2-9,12H2,1H3.
What are the key properties of 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine?
4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine has a molecular weight of 358.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(3,5-dichloro-4-pyridinyl)methyl]piperidin-4-yl]ethyl]morpholine is sourced from PubChem (CID 70766602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).