N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine

C16H26N2 — CID 142177122

IUPACN-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/CC)CC1CCN(C(=C)C)CC1
InChIInChI=1S/C16H26N2/c1-5-6-15(7-10-17-4)13-16-8-11-18(12-9-16)14(2)3/h6-7,10,16H,2,4-5,8-9,11-13H2,1,3H3/b10-7-,15-6+
InChIKeyFOVDQDWQECTYOU-RJSHXBOESA-N
MW246.40 g/mol
LogP4.17
Rot. Bonds6

About N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine

N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine (PubChem CID 142177122) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine
PubChem CID142177122
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/CC)CC1CCN(C(=C)C)CC1
InChIInChI=1S/C16H26N2/c1-5-6-15(7-10-17-4)13-16-8-11-18(12-9-16)14(2)3/h6-7,10,16H,2,4-5,8-9,11-13H2,1,3H3/b10-7-,15-6+
InChIKeyFOVDQDWQECTYOU-RJSHXBOESA-N
XLogP4.17
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
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-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine (CID 142177122) is N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine is C=N/C=C\C(=C/CC)CC1CCN(C(=C)C)CC1.
What is the InChIKey of N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine?
The InChIKey is FOVDQDWQECTYOU-RJSHXBOESA-N. The full InChI is InChI=1S/C16H26N2/c1-5-6-15(7-10-17-4)13-16-8-11-18(12-9-16)14(2)3/h6-7,10,16H,2,4-5,8-9,11-13H2,1,3H3/b10-7-,15-6+.
What are the key properties of N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine?
N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine has a molecular weight of 246.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-[(1-prop-1-en-2-ylpiperidin-4-yl)methyl]hexa-1,3-dienyl]methanimine is sourced from PubChem (CID 142177122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).