[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C22H34N2O3 — CID 70779312

IUPAC[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)CCc1ccc(CN2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C22H34N2O3/c1-22(2,26)10-9-18-5-7-19(8-6-18)16-23-11-3-4-20(17-23)21(25)24-12-14-27-15-13-24/h5-8,20,26H,3-4,9-17H2,1-2H3
InChIKeyISWMKCFHHWRQFL-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.46
Rot. Bonds6

About [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 70779312) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID70779312
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)(O)CCc1ccc(CN2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C22H34N2O3/c1-22(2,26)10-9-18-5-7-19(8-6-18)16-23-11-3-4-20(17-23)21(25)24-12-14-27-15-13-24/h5-8,20,26H,3-4,9-17H2,1-2H3
InChIKeyISWMKCFHHWRQFL-UHFFFAOYSA-N
XLogP2.46
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
[(3R)-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95891625
[1-[(1-tert-butylpyrazol-4-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 84592565
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol
CID 70766914
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 70779312) is [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is CC(C)(O)CCc1ccc(CN2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ISWMKCFHHWRQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-22(2,26)10-9-18-5-7-19(8-6-18)16-23-11-3-4-20(17-23)21(25)24-12-14-27-15-13-24/h5-8,20,26H,3-4,9-17H2,1-2H3.
What are the key properties of [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 374.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70779312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).