3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal

C17H27NO — CID 142202510

IUPAC3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal
SMILESC=C/C(=C\C=C/C)CCN1CCC(CCC=O)CC1
InChIInChI=1S/C17H27NO/c1-3-5-7-16(4-2)9-12-18-13-10-17(11-14-18)8-6-15-19/h3-5,7,15,17H,2,6,8-14H2,1H3/b5-3-,16-7+
InChIKeyYCUBEABAAHBMKV-NUPSIHCRSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds8

About 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal

3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal (PubChem CID 142202510) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal.

Molecular Properties

Compound Name3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal
PubChem CID142202510
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal
SMILESC=C/C(=C\C=C/C)CCN1CCC(CCC=O)CC1
InChIInChI=1S/C17H27NO/c1-3-5-7-16(4-2)9-12-18-13-10-17(11-14-18)8-6-15-19/h3-5,7,15,17H,2,6,8-14H2,1H3/b5-3-,16-7+
InChIKeyYCUBEABAAHBMKV-NUPSIHCRSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal?
The IUPAC name of 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal (CID 142202510) is 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal.
What is the SMILES notation for 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal?
The canonical SMILES for 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal is C=C/C(=C\C=C/C)CCN1CCC(CCC=O)CC1.
What is the InChIKey of 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal?
The InChIKey is YCUBEABAAHBMKV-NUPSIHCRSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-5-7-16(4-2)9-12-18-13-10-17(11-14-18)8-6-15-19/h3-5,7,15,17H,2,6,8-14H2,1H3/b5-3-,16-7+.
What are the key properties of 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal?
3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal has a molecular weight of 261.41 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal is sourced from PubChem (CID 142202510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).