1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol

C21H34N2O4 — CID 72868378

IUPAC1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol
SMILESCOc1cccc(OC)c1CN1CCC(O)(CN2CCOCC2)C(C)(C)C1
InChIInChI=1S/C21H34N2O4/c1-20(2)15-23(14-17-18(25-3)6-5-7-19(17)26-4)9-8-21(20,24)16-22-10-12-27-13-11-22/h5-7,24H,8-16H2,1-4H3
InChIKeyLNXLFLNVNVCWQB-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.00
Rot. Bonds6

About 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol

1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol (PubChem CID 72868378) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol
PubChem CID72868378
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol
SMILESCOc1cccc(OC)c1CN1CCC(O)(CN2CCOCC2)C(C)(C)C1
InChIInChI=1S/C21H34N2O4/c1-20(2)15-23(14-17-18(25-3)6-5-7-19(17)26-4)9-8-21(20,24)16-22-10-12-27-13-11-22/h5-7,24H,8-16H2,1-4H3
InChIKeyLNXLFLNVNVCWQB-UHFFFAOYSA-N
XLogP2.00
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]-4-(morpholin-4-ylmethyl)piperidin-4-ol
CID 97125091
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 97110053
3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-ol
CID 72845510
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-pyrimidin-2-ylpiperidin-4-ol
CID 97146942
3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 72840804
(5S)-9-[(2,6-dimethoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 125011061
(4S)-4-(methoxymethyl)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-ol
CID 72856628
3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
(3R)-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxy-3-(1,4-oxazepan-4-ylmethyl)piperidin-2-one
CID 95198220
1-[(4-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
CID 156606525
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 103293499

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol (CID 72868378) is 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol is COc1cccc(OC)c1CN1CCC(O)(CN2CCOCC2)C(C)(C)C1.
What is the InChIKey of 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol?
The InChIKey is LNXLFLNVNVCWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-20(2)15-23(14-17-18(25-3)6-5-7-19(17)26-4)9-8-21(20,24)16-22-10-12-27-13-11-22/h5-7,24H,8-16H2,1-4H3.
What are the key properties of 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol?
1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol has a molecular weight of 378.51 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethoxyphenyl)methyl]-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 72868378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).