2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

C17H24N2 — CID 122640964

IUPAC2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESC(=C/C1CC1NCC1CCNCC1)\c1ccccc1
InChIInChI=1S/C17H24N2/c1-2-4-14(5-3-1)6-7-16-12-17(16)19-13-15-8-10-18-11-9-15/h1-7,15-19H,8-13H2/b7-6+
InChIKeyHNODLNCWVUEPIF-VOTSOKGWSA-N
MW256.39 g/mol
LogP2.68
Rot. Bonds5

About 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (PubChem CID 122640964) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
PubChem CID122640964
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESC(=C/C1CC1NCC1CCNCC1)\c1ccccc1
InChIInChI=1S/C17H24N2/c1-2-4-14(5-3-1)6-7-16-12-17(16)19-13-15-8-10-18-11-9-15/h1-7,15-19H,8-13H2/b7-6+
InChIKeyHNODLNCWVUEPIF-VOTSOKGWSA-N
XLogP2.68
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (CID 122640964) is 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is C(=C/C1CC1NCC1CCNCC1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The InChIKey is HNODLNCWVUEPIF-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-4-14(5-3-1)6-7-16-12-17(16)19-13-15-8-10-18-11-9-15/h1-7,15-19H,8-13H2/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 122640964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).