3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde

C16H23NO4 — CID 82015484

IUPAC3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCC(OCCO)CC1
InChIInChI=1S/C16H23NO4/c1-20-16-3-2-13(12-19)10-14(16)11-17-6-4-15(5-7-17)21-9-8-18/h2-3,10,12,15,18H,4-9,11H2,1H3
InChIKeyYEIBKMYIDDMOIL-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.48
Rot. Bonds7

About 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde

3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde (PubChem CID 82015484) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde
PubChem CID82015484
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCC(OCCO)CC1
InChIInChI=1S/C16H23NO4/c1-20-16-3-2-13(12-19)10-14(16)11-17-6-4-15(5-7-17)21-9-8-18/h2-3,10,12,15,18H,4-9,11H2,1H3
InChIKeyYEIBKMYIDDMOIL-UHFFFAOYSA-N
XLogP1.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 62034824
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 62017023
4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
CID 163990901
4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 62018518
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62035741
2-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904119
3-[(2,4-dimethylpiperidin-1-yl)methyl]-4-methoxybenzaldehyde
CID 62330700
4-methoxy-3-[(4-methyl-3-oxo-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 102889608
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788298
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
CID 106869305

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde (CID 82015484) is 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1CN1CCC(OCCO)CC1.
What is the InChIKey of 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde?
The InChIKey is YEIBKMYIDDMOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-20-16-3-2-13(12-19)10-14(16)11-17-6-4-15(5-7-17)21-9-8-18/h2-3,10,12,15,18H,4-9,11H2,1H3.
What are the key properties of 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde?
3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde has a molecular weight of 293.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 82015484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).