2-(1-methylpiperidin-3-yl)prop-2-enal

C9H15NO — CID 117266772

IUPAC2-(1-methylpiperidin-3-yl)prop-2-enal
SMILESC=C(C=O)C1CCCN(C)C1
InChIInChI=1S/C9H15NO/c1-8(7-11)9-4-3-5-10(2)6-9/h7,9H,1,3-6H2,2H3
InChIKeyNFJASKCCFQSPHG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.08
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)prop-2-enal

2-(1-methylpiperidin-3-yl)prop-2-enal (PubChem CID 117266772) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)prop-2-enal.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)prop-2-enal
PubChem CID117266772
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(1-methylpiperidin-3-yl)prop-2-enal
SMILESC=C(C=O)C1CCCN(C)C1
InChIInChI=1S/C9H15NO/c1-8(7-11)9-4-3-5-10(2)6-9/h7,9H,1,3-6H2,2H3
InChIKeyNFJASKCCFQSPHG-UHFFFAOYSA-N
XLogP1.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpiperidin-3-yl)ethenamine
CID 58035148
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carbothioic S-acid
CID 116918903
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 96635007
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
N-methyl-2-(1-methylpiperidin-3-yl)prop-2-en-1-amine
CID 117266322
1-(1-methylpiperidin-3-yl)-2-sulfanylethanone
CID 116829941
2-(ethylamino)-1-(1-methylpiperidin-3-yl)ethanone
CID 116916675
2-[(1-methylpiperidin-3-yl)methyl]prop-2-enoic acid
CID 117266962
N-(1-methylpiperidine-3-carbonyl)carbamate
CID 21202727
(4-hydroxypiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129373940

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)prop-2-enal?
The IUPAC name of 2-(1-methylpiperidin-3-yl)prop-2-enal (CID 117266772) is 2-(1-methylpiperidin-3-yl)prop-2-enal.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)prop-2-enal?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)prop-2-enal is C=C(C=O)C1CCCN(C)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)prop-2-enal?
The InChIKey is NFJASKCCFQSPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(7-11)9-4-3-5-10(2)6-9/h7,9H,1,3-6H2,2H3.
What are the key properties of 2-(1-methylpiperidin-3-yl)prop-2-enal?
2-(1-methylpiperidin-3-yl)prop-2-enal has a molecular weight of 153.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)prop-2-enal is sourced from PubChem (CID 117266772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).