1-methoxypropane;piperidine-1-carbaldehyde

C10H21NO2 — CID 142366612

IUPAC1-methoxypropane;piperidine-1-carbaldehyde
SMILESCCCOC.O=CN1CCCCC1
InChIInChI=1S/C6H11NO.C4H10O/c8-6-7-4-2-1-3-5-7;1-3-4-5-2/h6H,1-5H2;3-4H2,1-2H3
InChIKeyDJFWVZAEHINEBV-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds3

About 1-methoxypropane;piperidine-1-carbaldehyde

1-methoxypropane;piperidine-1-carbaldehyde (PubChem CID 142366612) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-methoxypropane;piperidine-1-carbaldehyde.

Molecular Properties

Compound Name1-methoxypropane;piperidine-1-carbaldehyde
PubChem CID142366612
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-methoxypropane;piperidine-1-carbaldehyde
SMILESCCCOC.O=CN1CCCCC1
InChIInChI=1S/C6H11NO.C4H10O/c8-6-7-4-2-1-3-5-7;1-3-4-5-2/h6H,1-5H2;3-4H2,1-2H3
InChIKeyDJFWVZAEHINEBV-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Piperidinecarboxylic acid, ethyl ester
CID 21399
1-Piperidinecarboxylic acid, isopropyl ester
CID 239243
Butyl piperidine-1-carboxylate
CID 232662
2-Methoxy-1-formylpiperidine
CID 2723667
1-Piperidinecarboxylic acid-1-methylpropylester
CID 127537407
(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbaldehyde
CID 135291812
Propyl piperidine-1-carboxylate
CID 232660
Pentyl piperidine-1-carboxylate
CID 232663
Piperidine, N-isoBOC
CID 232661
N-methyl-N-methoxycarbonylpiperidinium bromide
CID 132280718
(2R)-2-methoxypiperidine-1-carbaldehyde
CID 643444
1,2-Dimethoxyethane;1-piperidin-1-ylethanone
CID 21527459

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropane;piperidine-1-carbaldehyde?
The IUPAC name of 1-methoxypropane;piperidine-1-carbaldehyde (CID 142366612) is 1-methoxypropane;piperidine-1-carbaldehyde.
What is the SMILES notation for 1-methoxypropane;piperidine-1-carbaldehyde?
The canonical SMILES for 1-methoxypropane;piperidine-1-carbaldehyde is CCCOC.O=CN1CCCCC1.
What is the InChIKey of 1-methoxypropane;piperidine-1-carbaldehyde?
The InChIKey is DJFWVZAEHINEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C4H10O/c8-6-7-4-2-1-3-5-7;1-3-4-5-2/h6H,1-5H2;3-4H2,1-2H3.
What are the key properties of 1-methoxypropane;piperidine-1-carbaldehyde?
1-methoxypropane;piperidine-1-carbaldehyde has a molecular weight of 187.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropane;piperidine-1-carbaldehyde is sourced from PubChem (CID 142366612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).