1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine

C19H29N — CID 130371116

IUPAC1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine
SMILESC=C(c1ccc(CC(C)C)c(CC)c1)N1CCCCC1
InChIInChI=1S/C19H29N/c1-5-17-14-18(9-10-19(17)13-15(2)3)16(4)20-11-7-6-8-12-20/h9-10,14-15H,4-8,11-13H2,1-3H3
InChIKeyNUNVUPBDPHVLDU-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.90
Rot. Bonds5

About 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine

1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine (PubChem CID 130371116) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine.

Molecular Properties

Compound Name1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine
PubChem CID130371116
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine
SMILESC=C(c1ccc(CC(C)C)c(CC)c1)N1CCCCC1
InChIInChI=1S/C19H29N/c1-5-17-14-18(9-10-19(17)13-15(2)3)16(4)20-11-7-6-8-12-20/h9-10,14-15H,4-8,11-13H2,1-3H3
InChIKeyNUNVUPBDPHVLDU-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine?
The IUPAC name of 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine (CID 130371116) is 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine.
What is the SMILES notation for 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine?
The canonical SMILES for 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine is C=C(c1ccc(CC(C)C)c(CC)c1)N1CCCCC1.
What is the InChIKey of 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine?
The InChIKey is NUNVUPBDPHVLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-5-17-14-18(9-10-19(17)13-15(2)3)16(4)20-11-7-6-8-12-20/h9-10,14-15H,4-8,11-13H2,1-3H3.
What are the key properties of 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine?
1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine has a molecular weight of 271.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-ethyl-4-(2-methylpropyl)phenyl]ethenyl]piperidine is sourced from PubChem (CID 130371116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).