1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine

C28H38N2O — CID 141165369

IUPAC1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine
SMILESC(=C\c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)\CC1CCCNC1
InChIInChI=1S/C28H38N2O/c1-2-19-30(20-3-1)21-6-22-31-28-16-14-27(15-17-28)26-12-10-24(11-13-26)7-4-8-25-9-5-18-29-23-25/h4,7,10-17,25,29H,1-3,5-6,8-9,18-23H2/b7-4-
InChIKeyKRIXPOUIOMSSEZ-DAXSKMNVSA-N
MW418.63 g/mol
LogP6.01
Rot. Bonds9

About 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine

1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine (PubChem CID 141165369) has the molecular formula C28H38N2O and a molecular weight of 418.63 g/mol. Its IUPAC name is 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine
PubChem CID141165369
Molecular FormulaC28H38N2O
Molecular Weight418.63 g/mol
Exact Mass418.30
IUPAC Name1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine
SMILESC(=C\c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)\CC1CCCNC1
InChIInChI=1S/C28H38N2O/c1-2-19-30(20-3-1)21-6-22-31-28-16-14-27(15-17-28)26-12-10-24(11-13-26)7-4-8-25-9-5-18-29-23-25/h4,7,10-17,25,29H,1-3,5-6,8-9,18-23H2/b7-4-
InChIKeyKRIXPOUIOMSSEZ-DAXSKMNVSA-N
XLogP6.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
CID 68905693
(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322
ethyl (E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoate
CID 23150314
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
4-[4-(3-piperidin-1-ylpropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 69137569
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
4-(3-piperidin-1-ylpropoxy)benzonitrile
CID 2994072
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
3-[2-(4-methylphenoxy)ethyl]piperidine
CID 45075559
1-[3-[(E)-3-(4-chlorophenyl)prop-2-enoxy]propyl]piperidine
CID 175675430
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine (CID 141165369) is 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine is C(=C\c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)\CC1CCCNC1.
What is the InChIKey of 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine?
The InChIKey is KRIXPOUIOMSSEZ-DAXSKMNVSA-N. The full InChI is InChI=1S/C28H38N2O/c1-2-19-30(20-3-1)21-6-22-31-28-16-14-27(15-17-28)26-12-10-24(11-13-26)7-4-8-25-9-5-18-29-23-25/h4,7,10-17,25,29H,1-3,5-6,8-9,18-23H2/b7-4-.
What are the key properties of 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine?
1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine has a molecular weight of 418.63 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine is sourced from PubChem (CID 141165369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).