3-(1-propan-2-ylpiperidin-4-yl)propanal

C11H21NO — CID 83906803

IUPAC3-(1-propan-2-ylpiperidin-4-yl)propanal
SMILESCC(C)N1CCC(CCC=O)CC1
InChIInChI=1S/C11H21NO/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h9-11H,3-8H2,1-2H3
InChIKeyLKVSFMKPLSMWBA-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds4

About 3-(1-propan-2-ylpiperidin-4-yl)propanal

3-(1-propan-2-ylpiperidin-4-yl)propanal (PubChem CID 83906803) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-4-yl)propanal.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-4-yl)propanal
PubChem CID83906803
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(1-propan-2-ylpiperidin-4-yl)propanal
SMILESCC(C)N1CCC(CCC=O)CC1
InChIInChI=1S/C11H21NO/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h9-11H,3-8H2,1-2H3
InChIKeyLKVSFMKPLSMWBA-UHFFFAOYSA-N
XLogP2.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
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

2-(1-propan-2-ylpyrrolidin-3-yl)acetaldehyde
CID 84763666
(Z)-5-(1-propan-2-ylpiperidin-4-yl)pent-3-enal
CID 117267482
2-[(1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enal
CID 117266767
4-octyl-1-propan-2-ylpiperidine
CID 167231286
4-(1-propan-2-ylpiperidin-4-yl)but-2-ynal
CID 117265471
N-(3-oxopropyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 176985907
N-ethyl-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 176717350
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
3-(1-methylpiperidin-3-yl)propanal
CID 83905184
N-methyl-N-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)propan-1-amine
CID 170195980
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
3-(1-propan-2-ylazepan-4-yl)propan-1-ol
CID 146561520

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)propanal?
The IUPAC name of 3-(1-propan-2-ylpiperidin-4-yl)propanal (CID 83906803) is 3-(1-propan-2-ylpiperidin-4-yl)propanal.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-4-yl)propanal?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-4-yl)propanal is CC(C)N1CCC(CCC=O)CC1.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-4-yl)propanal?
The InChIKey is LKVSFMKPLSMWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpiperidin-4-yl)propanal?
3-(1-propan-2-ylpiperidin-4-yl)propanal has a molecular weight of 183.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-4-yl)propanal is sourced from PubChem (CID 83906803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).