[1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol

C20H32N2O2 — CID 70729270

IUPAC[1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C20H32N2O2/c1-2-7-20(17-23)8-4-9-21(16-20)15-18-5-3-6-19(14-18)22-10-12-24-13-11-22/h3,5-6,14,23H,2,4,7-13,15-17H2,1H3
InChIKeyYFEHPCOFYOJZKE-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.90
Rot. Bonds6

About [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol

[1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 70729270) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
PubChem CID70729270
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name[1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(Cc2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C20H32N2O2/c1-2-7-20(17-23)8-4-9-21(16-20)15-18-5-3-6-19(14-18)22-10-12-24-13-11-22/h3,5-6,14,23H,2,4,7-13,15-17H2,1H3
InChIKeyYFEHPCOFYOJZKE-UHFFFAOYSA-N
XLogP2.90
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol (CID 70729270) is [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol is CCCC1(CO)CCCN(Cc2cccc(N3CCOCC3)c2)C1.
What is the InChIKey of [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is YFEHPCOFYOJZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-2-7-20(17-23)8-4-9-21(16-20)15-18-5-3-6-19(14-18)22-10-12-24-13-11-22/h3,5-6,14,23H,2,4,7-13,15-17H2,1H3.
What are the key properties of [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol?
[1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol has a molecular weight of 332.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 70729270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).