(2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine

C16H29NO — CID 142302268

IUPAC(2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine
SMILESCC/C=C1\NC(CCCOC)CC\C1=C\CCC
InChIInChI=1S/C16H29NO/c1-4-6-9-14-11-12-15(10-7-13-18-3)17-16(14)8-5-2/h8-9,15,17H,4-7,10-13H2,1-3H3/b14-9-,16-8-
InChIKeyOWVPSROLTMQZFP-XLUSDHMUSA-N
MW251.41 g/mol
LogP4.19
Rot. Bonds7

About (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine

(2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine (PubChem CID 142302268) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine.

Molecular Properties

Compound Name(2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine
PubChem CID142302268
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine
SMILESCC/C=C1\NC(CCCOC)CC\C1=C\CCC
InChIInChI=1S/C16H29NO/c1-4-6-9-14-11-12-15(10-7-13-18-3)17-16(14)8-5-2/h8-9,15,17H,4-7,10-13H2,1-3H3/b14-9-,16-8-
InChIKeyOWVPSROLTMQZFP-XLUSDHMUSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine?
The IUPAC name of (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine (CID 142302268) is (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine.
What is the SMILES notation for (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine?
The canonical SMILES for (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine is CC/C=C1\NC(CCCOC)CC\C1=C\CCC.
What is the InChIKey of (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine?
The InChIKey is OWVPSROLTMQZFP-XLUSDHMUSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-6-9-14-11-12-15(10-7-13-18-3)17-16(14)8-5-2/h8-9,15,17H,4-7,10-13H2,1-3H3/b14-9-,16-8-.
What are the key properties of (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine?
(2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine has a molecular weight of 251.41 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-3-butylidene-6-(3-methoxypropyl)-2-propylidenepiperidine is sourced from PubChem (CID 142302268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).