4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol

C19H30N2O2 — CID 60526509

IUPAC4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol
SMILESCc1cc(O)c(CN2CCC(CN3CCOCC3)CC2)cc1C
InChIInChI=1S/C19H30N2O2/c1-15-11-18(19(22)12-16(15)2)14-20-5-3-17(4-6-20)13-21-7-9-23-10-8-21/h11-12,17,22H,3-10,13-14H2,1-2H3
InChIKeyHVGLFDAJMAEHDO-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.55
Rot. Bonds4

About 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol

4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol (PubChem CID 60526509) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol
PubChem CID60526509
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol
SMILESCc1cc(O)c(CN2CCC(CN3CCOCC3)CC2)cc1C
InChIInChI=1S/C19H30N2O2/c1-15-11-18(19(22)12-16(15)2)14-20-5-3-17(4-6-20)13-21-7-9-23-10-8-21/h11-12,17,22H,3-10,13-14H2,1-2H3
InChIKeyHVGLFDAJMAEHDO-UHFFFAOYSA-N
XLogP2.55
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-benzylpiperidin-1-yl)methyl]-4,5-dimethylphenol
CID 7911115
(3S)-1-[(2-hydroxy-4,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 103882967
4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 51086748
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
4-[(1-ethylpiperidin-4-yl)methyl]morpholine;propane
CID 176563536
2-methyl-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]phenol
CID 115903837
4-[[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 60503695
4-methyl-2,6-bis(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)phenol
CID 10462009
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503666
1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]piperidin-4-ol
CID 67960796
4-ethoxy-3,5-dimethyl-2-(morpholin-4-ylmethyl)phenol
CID 134821290

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol (CID 60526509) is 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol is Cc1cc(O)c(CN2CCC(CN3CCOCC3)CC2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is HVGLFDAJMAEHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-15-11-18(19(22)12-16(15)2)14-20-5-3-17(4-6-20)13-21-7-9-23-10-8-21/h11-12,17,22H,3-10,13-14H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol?
4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 318.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 60526509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).