ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol

C17H33NO2 — CID 143407554

IUPACethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol
SMILESC/C=C\C(=C/C)OCCCN1CCC(CO)CC1.CC
InChIInChI=1S/C15H27NO2.C2H6/c1-3-6-15(4-2)18-12-5-9-16-10-7-14(13-17)8-11-16;1-2/h3-4,6,14,17H,5,7-13H2,1-2H3;1-2H3/b6-3-,15-4+;
InChIKeyRCFYWOPVCUAQRC-KRPDYSHWSA-N
MW283.46 g/mol
LogP3.60
Rot. Bonds7

About ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol

ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol (PubChem CID 143407554) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Nameethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol
PubChem CID143407554
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol
SMILESC/C=C\C(=C/C)OCCCN1CCC(CO)CC1.CC
InChIInChI=1S/C15H27NO2.C2H6/c1-3-6-15(4-2)18-12-5-9-16-10-7-14(13-17)8-11-16;1-2/h3-4,6,14,17H,5,7-13H2,1-2H3;1-2H3/b6-3-,15-4+;
InChIKeyRCFYWOPVCUAQRC-KRPDYSHWSA-N
XLogP3.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol?
The IUPAC name of ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol (CID 143407554) is ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol.
What is the SMILES notation for ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol?
The canonical SMILES for ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol is C/C=C\C(=C/C)OCCCN1CCC(CO)CC1.CC.
What is the InChIKey of ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol?
The InChIKey is RCFYWOPVCUAQRC-KRPDYSHWSA-N. The full InChI is InChI=1S/C15H27NO2.C2H6/c1-3-6-15(4-2)18-12-5-9-16-10-7-14(13-17)8-11-16;1-2/h3-4,6,14,17H,5,7-13H2,1-2H3;1-2H3/b6-3-,15-4+;.
What are the key properties of ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol?
ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol has a molecular weight of 283.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]oxypropyl]piperidin-4-yl]methanol is sourced from PubChem (CID 143407554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).