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

C28H38N2O — CID 68905693

IUPAC1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
SMILESC(=Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)CN1CCCCC1
InChIInChI=1S/C28H38N2O/c1-3-18-29(19-4-1)22-7-9-25-10-12-26(13-11-25)27-14-16-28(17-15-27)31-24-8-23-30-20-5-2-6-21-30/h7,9-17H,1-6,8,18-24H2
InChIKeyVTCNWWJCRSYLPI-UHFFFAOYSA-N
MW418.63 g/mol
LogP6.11
Rot. Bonds9

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

1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine (PubChem CID 68905693) has the molecular formula C28H38N2O and a molecular weight of 418.63 g/mol. Its IUPAC name is 1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
PubChem CID68905693
Molecular FormulaC28H38N2O
Molecular Weight418.63 g/mol
Exact Mass418.30
IUPAC Name1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine
SMILESC(=Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)CN1CCCCC1
InChIInChI=1S/C28H38N2O/c1-3-18-29(19-4-1)22-7-9-25-10-12-26(13-11-25)27-14-16-28(17-15-27)31-24-8-23-30-20-5-2-6-21-30/h7,9-17H,1-6,8,18-24H2
InChIKeyVTCNWWJCRSYLPI-UHFFFAOYSA-N
XLogP6.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.63
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoic acid
CID 23150322
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
1-[3-[4-[4-[(Z)-3-piperidin-3-ylprop-1-enyl]phenyl]phenoxy]propyl]piperidine
CID 141165369
ethyl (E)-3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]prop-2-enoate
CID 23150314
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
N-benzhydryl-2-[1-[(E)-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]prop-2-enyl]piperidin-4-yl]acetamide
CID 10076291
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde
CID 54341299
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine (CID 68905693) is 1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine is C(=Cc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1)CN1CCCCC1.
What is the InChIKey of 1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine?
The InChIKey is VTCNWWJCRSYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O/c1-3-18-29(19-4-1)22-7-9-25-10-12-26(13-11-25)27-14-16-28(17-15-27)31-24-8-23-30-20-5-2-6-21-30/h7,9-17H,1-6,8,18-24H2.
What are the key properties of 1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine?
1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine has a molecular weight of 418.63 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-(3-piperidin-1-ylprop-1-enyl)phenyl]phenoxy]propyl]piperidine is sourced from PubChem (CID 68905693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).