4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde

C18H26N2O3 — CID 163990901

IUPAC4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C18H26N2O3/c1-22-18-3-2-15(14-21)12-16(18)13-19-6-4-17(5-7-19)20-8-10-23-11-9-20/h2-3,12,14,17H,4-11,13H2,1H3
InChIKeyUANMKLRHYNWUCJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.80
Rot. Bonds5

About 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde

4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde (PubChem CID 163990901) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
PubChem CID163990901
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCC(N2CCOCC2)CC1
InChIInChI=1S/C18H26N2O3/c1-22-18-3-2-15(14-21)12-16(18)13-19-6-4-17(5-7-19)20-8-10-23-11-9-20/h2-3,12,14,17H,4-11,13H2,1H3
InChIKeyUANMKLRHYNWUCJ-UHFFFAOYSA-N
XLogP1.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 62017023
3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 82015484
1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 62034824
4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 62018518
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62035741
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[[5-(1,5-diazabicyclo[3.2.1]octan-8-yl)-2-methoxyphenyl]methyl]morpholine
CID 1084319
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62330700
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde?
The IUPAC name of 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde (CID 163990901) is 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde.
What is the SMILES notation for 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde?
The canonical SMILES for 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde is COc1ccc(C=O)cc1CN1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde?
The InChIKey is UANMKLRHYNWUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-18-3-2-15(14-21)12-16(18)13-19-6-4-17(5-7-19)20-8-10-23-11-9-20/h2-3,12,14,17H,4-11,13H2,1H3.
What are the key properties of 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde?
4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde has a molecular weight of 318.42 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde is sourced from PubChem (CID 163990901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).