3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde

C17H26N2O2 — CID 62017023

IUPAC3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCC(CN(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-18(2)11-14-6-8-19(9-7-14)12-16-10-15(13-20)4-5-17(16)21-3/h4-5,10,13-14H,6-9,11-12H2,1-3H3
InChIKeyGKWJLOUUYGTQLA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.28
Rot. Bonds6

About 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde

3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde (PubChem CID 62017023) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
PubChem CID62017023
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCC(CN(C)C)CC1
InChIInChI=1S/C17H26N2O2/c1-18(2)11-14-6-8-19(9-7-14)12-16-10-15(13-20)4-5-17(16)21-3/h4-5,10,13-14H,6-9,11-12H2,1-3H3
InChIKeyGKWJLOUUYGTQLA-UHFFFAOYSA-N
XLogP2.28
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 82015484
4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
CID 163990901
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
3-[(dimethylamino)methyl]-4-methoxybenzaldehyde
CID 3159838
4-methoxy-3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzaldehyde
CID 63273928
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62330700
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxyaniline
CID 115413949
4-methoxy-3-[(4-methyl-3-oxo-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 102889608
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 83219096

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde (CID 62017023) is 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1CN1CCC(CN(C)C)CC1.
What is the InChIKey of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde?
The InChIKey is GKWJLOUUYGTQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18(2)11-14-6-8-19(9-7-14)12-16-10-15(13-20)4-5-17(16)21-3/h4-5,10,13-14H,6-9,11-12H2,1-3H3.
What are the key properties of 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde?
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde has a molecular weight of 290.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 62017023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).