N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine

C19H27FN2 — CID 170199610

IUPACN-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine
SMILESC=C/C=C(CCC(=C/C=C)/C(F)=C\C)\N=C\C1CCNCC1
InChIInChI=1S/C19H27FN2/c1-4-7-17(19(20)6-3)9-10-18(8-5-2)22-15-16-11-13-21-14-12-16/h4-8,15-16,21H,1-2,9-14H2,3H3/b17-7-,18-8-,19-6+,22-15+
InChIKeySIEWZSPKDPJNHM-OAEOOTNTSA-N
MW302.44 g/mol
LogP4.89
Rot. Bonds8

About N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine

N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine (PubChem CID 170199610) has the molecular formula C19H27FN2 and a molecular weight of 302.44 g/mol. Its IUPAC name is N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine.

Molecular Properties

Compound NameN-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine
PubChem CID170199610
Molecular FormulaC19H27FN2
Molecular Weight302.44 g/mol
Exact Mass302.22
IUPAC NameN-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine
SMILESC=C/C=C(CCC(=C/C=C)/C(F)=C\C)\N=C\C1CCNCC1
InChIInChI=1S/C19H27FN2/c1-4-7-17(19(20)6-3)9-10-18(8-5-2)22-15-16-11-13-21-14-12-16/h4-8,15-16,21H,1-2,9-14H2,3H3/b17-7-,18-8-,19-6+,22-15+
InChIKeySIEWZSPKDPJNHM-OAEOOTNTSA-N
XLogP4.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine?
The IUPAC name of N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine (CID 170199610) is N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine.
What is the SMILES notation for N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine?
The canonical SMILES for N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine is C=C/C=C(CCC(=C/C=C)/C(F)=C\C)\N=C\C1CCNCC1.
What is the InChIKey of N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine?
The InChIKey is SIEWZSPKDPJNHM-OAEOOTNTSA-N. The full InChI is InChI=1S/C19H27FN2/c1-4-7-17(19(20)6-3)9-10-18(8-5-2)22-15-16-11-13-21-14-12-16/h4-8,15-16,21H,1-2,9-14H2,3H3/b17-7-,18-8-,19-6+,22-15+.
What are the key properties of N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine?
N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine has a molecular weight of 302.44 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,7Z)-7-[(E)-1-fluoroprop-1-enyl]deca-1,3,7,9-tetraen-4-yl]-1-piperidin-4-ylmethanimine is sourced from PubChem (CID 170199610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).