(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal

C11H19NO — CID 117266045

IUPAC(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal
SMILESCC(C)N1CCC(/C=C\C=O)CC1
InChIInChI=1S/C11H19NO/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h3-4,9-11H,5-8H2,1-2H3/b4-3-
InChIKeyXAVDMMVVLJPFGS-ARJAWSKDSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds3

About (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal

(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal (PubChem CID 117266045) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal.

Molecular Properties

Compound Name(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal
PubChem CID117266045
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal
SMILESCC(C)N1CCC(/C=C\C=O)CC1
InChIInChI=1S/C11H19NO/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h3-4,9-11H,5-8H2,1-2H3/b4-3-
InChIKeyXAVDMMVVLJPFGS-ARJAWSKDSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.86
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

(E)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enoic acid
CID 23062630
(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enoic acid
CID 117266122
(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-en-1-ol
CID 117265989
4-[(Z)-3-isocyanatoprop-1-enyl]-1-propan-2-ylpiperidine
CID 117267346
methyl (Z)-4-(1-propan-2-ylpiperidin-4-yl)but-3-enoate
CID 117267386
ethyl (E)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enoate
CID 23062586
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970
4-cyclopropyl-1-propan-2-ylpiperidine
CID 70331530
1,4-di(propan-2-yl)piperidine
CID 21303253
4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine
CID 170617106
3-(1-propan-2-ylpiperidin-4-yl)propanal
CID 83906803
4-bromo-1-propan-2-ylpiperidine
CID 67026231

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal?
The IUPAC name of (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal (CID 117266045) is (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal.
What is the SMILES notation for (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal?
The canonical SMILES for (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal is CC(C)N1CCC(/C=C\C=O)CC1.
What is the InChIKey of (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal?
The InChIKey is XAVDMMVVLJPFGS-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h3-4,9-11H,5-8H2,1-2H3/b4-3-.
What are the key properties of (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal?
(Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal has a molecular weight of 181.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-propan-2-ylpiperidin-4-yl)prop-2-enal is sourced from PubChem (CID 117266045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).