[5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane

C19H31ClN2O2 — CID 155576987

IUPAC[5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane
SMILESCC.OCC1CN(C2CCNCC2)C(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H25ClN2O2.C2H6/c18-14-3-1-13(2-4-14)9-16-12-22-17(11-21)10-20(16)15-5-7-19-8-6-15;1-2/h1-4,15-17,19,21H,5-12H2;1-2H3
InChIKeyDZFMOESFKOANQO-UHFFFAOYSA-N
MW354.92 g/mol
LogP2.72
Rot. Bonds4

About [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane

[5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane (PubChem CID 155576987) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane
PubChem CID155576987
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name[5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane
SMILESCC.OCC1CN(C2CCNCC2)C(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C17H25ClN2O2.C2H6/c18-14-3-1-13(2-4-14)9-16-12-22-17(11-21)10-20(16)15-5-7-19-8-6-15;1-2/h1-4,15-17,19,21H,5-12H2;1-2H3
InChIKeyDZFMOESFKOANQO-UHFFFAOYSA-N
XLogP2.72
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane?
The IUPAC name of [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane (CID 155576987) is [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane.
What is the SMILES notation for [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane?
The canonical SMILES for [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane is CC.OCC1CN(C2CCNCC2)C(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane?
The InChIKey is DZFMOESFKOANQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2.C2H6/c18-14-3-1-13(2-4-14)9-16-12-22-17(11-21)10-20(16)15-5-7-19-8-6-15;1-2/h1-4,15-17,19,21H,5-12H2;1-2H3.
What are the key properties of [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane?
[5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane has a molecular weight of 354.92 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)methyl]-4-piperidin-4-ylmorpholin-2-yl]methanol;ethane is sourced from PubChem (CID 155576987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).