2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde

C15H21ClN2O — CID 55004174

IUPAC2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde
SMILESCCN1CCC(N(C)c2cccc(Cl)c2C=O)CC1
InChIInChI=1S/C15H21ClN2O/c1-3-18-9-7-12(8-10-18)17(2)15-6-4-5-14(16)13(15)11-19/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyGDAMQCNAOJIMRD-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde

2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde (PubChem CID 55004174) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde.

Molecular Properties

Compound Name2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde
PubChem CID55004174
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde
SMILESCCN1CCC(N(C)c2cccc(Cl)c2C=O)CC1
InChIInChI=1S/C15H21ClN2O/c1-3-18-9-7-12(8-10-18)17(2)15-6-4-5-14(16)13(15)11-19/h4-6,11-12H,3,7-10H2,1-2H3
InChIKeyGDAMQCNAOJIMRD-UHFFFAOYSA-N
XLogP3.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-6-(chloromethyl)phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 114067765
2-[(1-ethylpiperidin-4-yl)-methylamino]-6-fluorobenzoic acid
CID 79512417
N-[2-[(1S)-1-aminopropyl]phenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 103958750
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297
N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
CID 110454576
2-chloro-6-[ethyl(2-ethylbutyl)amino]benzaldehyde
CID 63536486
2-chloro-6-[cycloheptyl(methyl)amino]benzoic acid
CID 43614200
N-[2-(bromomethyl)-4-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 107082125
2-chloro-6-[furan-3-ylmethyl(methyl)amino]benzaldehyde
CID 61422339
3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
CID 104838791

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde?
The IUPAC name of 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde (CID 55004174) is 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde.
What is the SMILES notation for 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde?
The canonical SMILES for 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde is CCN1CCC(N(C)c2cccc(Cl)c2C=O)CC1.
What is the InChIKey of 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde?
The InChIKey is GDAMQCNAOJIMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-3-18-9-7-12(8-10-18)17(2)15-6-4-5-14(16)13(15)11-19/h4-6,11-12H,3,7-10H2,1-2H3.
What are the key properties of 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde?
2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde has a molecular weight of 280.80 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1-ethylpiperidin-4-yl)-methylamino]benzaldehyde is sourced from PubChem (CID 55004174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).