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

C20H32N2O2 — CID 97122545

IUPAC[(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@@]1(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/t20-/m1/s1
InChIKeyYFEHPCOFYOJZKE-HXUWFJFHSA-N
MW332.49 g/mol
LogP2.90
Rot. Bonds6

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

[(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 97122545) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is [(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
PubChem CID97122545
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name[(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol
SMILESCCC[C@@]1(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/t20-/m1/s1
InChIKeyYFEHPCOFYOJZKE-HXUWFJFHSA-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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Related Compounds

(5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97122532
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
CID 97152457
2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-1-morpholin-4-ylethanone
CID 72931753
2,5-dimethyl-1-[(3-morpholin-4-ylphenyl)methyl]pyrrole-3-carboxylic acid
CID 118871352
[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 45230798
[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 26326398
2-(3-morpholin-4-ylphenyl)ethanol
CID 11788996
3-[[3-benzyl-3-(hydroxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 122034614
1-[(3-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140936
[(3S)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-3-propylpiperidin-3-yl]methanol
CID 97122333
ethane;4-[[3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]phenyl]methyl]morpholine
CID 142888836

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol (CID 97122545) is [(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol is CCC[C@@]1(CO)CCCN(Cc2cccc(N3CCOCC3)c2)C1.
What is the InChIKey of [(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is YFEHPCOFYOJZKE-HXUWFJFHSA-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/t20-/m1/s1.
What are the key properties of [(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol?
[(3R)-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 [(3R)-1-[(3-morpholin-4-ylphenyl)methyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 97122545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).