2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline

C18H27N3O — CID 176983483

IUPAC2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline
SMILES[H]/N=C(/c1ccccc1NCCOCC1CCNCC1)C1CC1
InChIInChI=1S/C18H27N3O/c19-18(15-5-6-15)16-3-1-2-4-17(16)21-11-12-22-13-14-7-9-20-10-8-14/h1-4,14-15,19-21H,5-13H2/b19-18+
InChIKeyPZSPHTKVWMMJEN-VHEBQXMUSA-N
MW301.43 g/mol
LogP2.89
Rot. Bonds8

About 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline

2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline (PubChem CID 176983483) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline.

Molecular Properties

Compound Name2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline
PubChem CID176983483
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline
SMILES[H]/N=C(/c1ccccc1NCCOCC1CCNCC1)C1CC1
InChIInChI=1S/C18H27N3O/c19-18(15-5-6-15)16-3-1-2-4-17(16)21-11-12-22-13-14-7-9-20-10-8-14/h1-4,14-15,19-21H,5-13H2/b19-18+
InChIKeyPZSPHTKVWMMJEN-VHEBQXMUSA-N
XLogP2.89
TPSA57.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.89
H-Bond Donors ≤ 53
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 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline?
The IUPAC name of 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline (CID 176983483) is 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline.
What is the SMILES notation for 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline?
The canonical SMILES for 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline is [H]/N=C(/c1ccccc1NCCOCC1CCNCC1)C1CC1.
What is the InChIKey of 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline?
The InChIKey is PZSPHTKVWMMJEN-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H27N3O/c19-18(15-5-6-15)16-3-1-2-4-17(16)21-11-12-22-13-14-7-9-20-10-8-14/h1-4,14-15,19-21H,5-13H2/b19-18+.
What are the key properties of 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline?
2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline has a molecular weight of 301.43 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarboximidoyl)-N-[2-(piperidin-4-ylmethoxy)ethyl]aniline is sourced from PubChem (CID 176983483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).