1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine

C23H28N2 — CID 14343976

IUPAC1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine
SMILESCC=C(c1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H28N2/c1-2-23(19-7-11-21(12-8-19)24-15-3-4-16-24)20-9-13-22(14-10-20)25-17-5-6-18-25/h2,7-14H,3-6,15-18H2,1H3
InChIKeyIZOLKYLVLVACJM-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.34
Rot. Bonds4

About 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine

1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine (PubChem CID 14343976) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine
PubChem CID14343976
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine
SMILESCC=C(c1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C23H28N2/c1-2-23(19-7-11-21(12-8-19)24-15-3-4-16-24)20-9-13-22(14-10-20)25-17-5-6-18-25/h2,7-14H,3-6,15-18H2,1H3
InChIKeyIZOLKYLVLVACJM-UHFFFAOYSA-N
XLogP5.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
ethane;2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetic acid
CID 144811360
(Z)-3-(4-methoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid
CID 21307379
(E)-3-(4-methoxyphenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid
CID 22731222
ethane;1-(4-methylphenyl)pyrrolidine;prop-1-ene
CID 145031830
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
1-[4-[2-(4-piperidin-1-ylphenyl)ethenyl]phenyl]piperidine
CID 56975979
2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 3681785
amino 4-pyrrolidin-1-ylbenzoate
CID 23055620
2-cyano-7,7-bis(4-pyrrolidin-1-ylphenyl)hepta-2,4,6-trienoic acid
CID 90838298
N,N-dimethyl-4-[1-(4-piperidin-1-ylphenyl)ethenyl]aniline
CID 19868016
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine?
The IUPAC name of 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine (CID 14343976) is 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine.
What is the SMILES notation for 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine?
The canonical SMILES for 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine is CC=C(c1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine?
The InChIKey is IZOLKYLVLVACJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2/c1-2-23(19-7-11-21(12-8-19)24-15-3-4-16-24)20-9-13-22(14-10-20)25-17-5-6-18-25/h2,7-14H,3-6,15-18H2,1H3.
What are the key properties of 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine?
1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine has a molecular weight of 332.49 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(4-pyrrolidin-1-ylphenyl)prop-1-enyl]phenyl]pyrrolidine is sourced from PubChem (CID 14343976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).