1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde

C12H24N2O — CID 62654444

IUPAC1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde
SMILESCCN(CC)CCN1CCC(C=O)CC1
InChIInChI=1S/C12H24N2O/c1-3-13(4-2)9-10-14-7-5-12(11-15)6-8-14/h11-12H,3-10H2,1-2H3
InChIKeyRTBFHRCQHFUIOQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.24
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde

1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde (PubChem CID 62654444) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde
PubChem CID62654444
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde
SMILESCCN(CC)CCN1CCC(C=O)CC1
InChIInChI=1S/C12H24N2O/c1-3-13(4-2)9-10-14-7-5-12(11-15)6-8-14/h11-12H,3-10H2,1-2H3
InChIKeyRTBFHRCQHFUIOQ-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.24
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,N-diethyl-2-piperidin-1-ylethanamine;ethane
CID 176694882
1-[1-[2-(diethylamino)ethyl]piperidin-4-yl]ethanone
CID 63846150
[1-[2-(diethylamino)ethyl]piperidin-4-yl]methanol
CID 62020074
1-decylpiperidine-4-carbaldehyde
CID 62654458
1-(2-ethoxyethyl)piperidine-4-carbaldehyde
CID 62654830
1-[2-(methylamino)ethyl]piperidine-4-carbaldehyde
CID 166488609
(3R)-1-[2-(diethylamino)ethyl]pyrrolidin-3-ol
CID 115277606
(3R)-1-ethylpyrrolidine-3-carbaldehyde
CID 97182013
2-[4-[2-(diethylamino)ethyl]piperazin-1-yl]ethyloxidanium
CID 143677744
1-ethylpyrrolidine-3-carbaldehyde
CID 84647972
2-(4-formylpiperidin-1-yl)ethyl formate
CID 174570080
1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde
CID 63196126

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde?
The IUPAC name of 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde (CID 62654444) is 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde?
The canonical SMILES for 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde is CCN(CC)CCN1CCC(C=O)CC1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde?
The InChIKey is RTBFHRCQHFUIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-13(4-2)9-10-14-7-5-12(11-15)6-8-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde?
1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde has a molecular weight of 212.34 g/mol, XLogP of 1.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]piperidine-4-carbaldehyde is sourced from PubChem (CID 62654444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).