(Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine

C18H27N3O — CID 168886900

IUPAC(Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine
SMILESCCCCOc1cccc(C(=C/N)/C=N/C2CCNCC2)c1
InChIInChI=1S/C18H27N3O/c1-2-3-11-22-18-6-4-5-15(12-18)16(13-19)14-21-17-7-9-20-10-8-17/h4-6,12-14,17,20H,2-3,7-11,19H2,1H3/b16-13+,21-14+
InChIKeyYUVPGUZRLJLLBM-PDHZICCSSA-N
MW301.43 g/mol
LogP2.99
Rot. Bonds7

About (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine

(Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine (PubChem CID 168886900) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine
PubChem CID168886900
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine
SMILESCCCCOc1cccc(C(=C/N)/C=N/C2CCNCC2)c1
InChIInChI=1S/C18H27N3O/c1-2-3-11-22-18-6-4-5-15(12-18)16(13-19)14-21-17-7-9-20-10-8-17/h4-6,12-14,17,20H,2-3,7-11,19H2,1H3/b16-13+,21-14+
InChIKeyYUVPGUZRLJLLBM-PDHZICCSSA-N
XLogP2.99
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine (CID 168886900) is (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine is CCCCOc1cccc(C(=C/N)/C=N/C2CCNCC2)c1.
What is the InChIKey of (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine?
The InChIKey is YUVPGUZRLJLLBM-PDHZICCSSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-3-11-22-18-6-4-5-15(12-18)16(13-19)14-21-17-7-9-20-10-8-17/h4-6,12-14,17,20H,2-3,7-11,19H2,1H3/b16-13+,21-14+.
What are the key properties of (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine?
(Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine has a molecular weight of 301.43 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-butoxyphenyl)-3-piperidin-4-yliminoprop-1-en-1-amine is sourced from PubChem (CID 168886900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).