3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde

C14H20N2O2 — CID 62035741

IUPAC3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCCC(N)C1
InChIInChI=1S/C14H20N2O2/c1-18-14-5-4-11(10-17)7-12(14)8-16-6-2-3-13(15)9-16/h4-5,7,10,13H,2-3,6,8-9,15H2,1H3
InChIKeyIHLRBNNMAMXJNU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.43
Rot. Bonds4

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

3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde (PubChem CID 62035741) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
PubChem CID62035741
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1CN1CCCC(N)C1
InChIInChI=1S/C14H20N2O2/c1-18-14-5-4-11(10-17)7-12(14)8-16-6-2-3-13(15)9-16/h4-5,7,10,13H,2-3,6,8-9,15H2,1H3
InChIKeyIHLRBNNMAMXJNU-UHFFFAOYSA-N
XLogP1.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
1-[3-[[(3R)-3-aminopiperidin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 102977480
4-methoxy-3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 62018518
3-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 62017023
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
4-methoxy-3-[(4-methyl-3-oxo-1,4-diazepan-1-yl)methyl]benzaldehyde
CID 102889608
3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyaniline
CID 43584169
3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-4-methoxybenzaldehyde
CID 82015484
4-methoxy-3-[(3-methylpiperidin-1-yl)methyl]aniline
CID 43134589
1-[(5-formyl-2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 62034824
4-methoxy-3-[(4-morpholin-4-ylpiperidin-1-yl)methyl]benzaldehyde
CID 163990901
1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
CID 82159596

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde?
The IUPAC name of 3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde (CID 62035741) is 3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde is COc1ccc(C=O)cc1CN1CCCC(N)C1.
What is the InChIKey of 3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde?
The InChIKey is IHLRBNNMAMXJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14-5-4-11(10-17)7-12(14)8-16-6-2-3-13(15)9-16/h4-5,7,10,13H,2-3,6,8-9,15H2,1H3.
What are the key properties of 3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde?
3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde has a molecular weight of 248.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopiperidin-1-yl)methyl]-4-methoxybenzaldehyde is sourced from PubChem (CID 62035741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).