1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine

C23H24ClN — CID 154716951

IUPAC1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine
SMILESC=CC(c1ccccc1)C(C#Cc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C23H24ClN/c1-2-22(20-9-5-3-6-10-20)23(25-17-7-4-8-18-25)16-13-19-11-14-21(24)15-12-19/h2-3,5-6,9-12,14-15,22-23H,1,4,7-8,17-18H2
InChIKeyUDBMXGGAHCXLQI-UHFFFAOYSA-N
MW349.91 g/mol
LogP5.52
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine

1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine (PubChem CID 154716951) has the molecular formula C23H24ClN and a molecular weight of 349.91 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine
PubChem CID154716951
Molecular FormulaC23H24ClN
Molecular Weight349.91 g/mol
Exact Mass349.16
IUPAC Name1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine
SMILESC=CC(c1ccccc1)C(C#Cc1ccc(Cl)cc1)N1CCCCC1
InChIInChI=1S/C23H24ClN/c1-2-22(20-9-5-3-6-10-20)23(25-17-7-4-8-18-25)16-13-19-11-14-21(24)15-12-19/h2-3,5-6,9-12,14-15,22-23H,1,4,7-8,17-18H2
InChIKeyUDBMXGGAHCXLQI-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.91
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-fluorophenyl)-1-phenylprop-2-ynyl]piperidine
CID 102298173
1-(4-methyl-1-phenylpent-1-yn-3-yl)pyrrolidine
CID 3360864
1-(1-phenylprop-2-enyl)piperidine
CID 10932509
1-[3-phenyl-1-(4-propan-2-ylphenyl)prop-2-ynyl]pyrrolidine
CID 142730752
1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine
CID 101406137
1-[[4-(2-phenylethynyl)phenyl]-piperidin-1-ylmethyl]piperidine
CID 71395677
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-phenylethanol
CID 4019753
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
1-[(R)-(4-chlorophenyl)-phenylmethyl]piperazine;1-[(R)-(4-chlorophenyl)-phenylmethyl]piperidine;methane
CID 160506934
1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
CID 69128866
1-[1-(furan-2-yl)-3-phenylprop-2-ynyl]piperidine
CID 86079711
3-(4-chlorophenyl)-2-pyrrolidin-1-ylbutanenitrile
CID 82087024

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine?
The IUPAC name of 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine (CID 154716951) is 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine?
The canonical SMILES for 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine is C=CC(c1ccccc1)C(C#Cc1ccc(Cl)cc1)N1CCCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine?
The InChIKey is UDBMXGGAHCXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN/c1-2-22(20-9-5-3-6-10-20)23(25-17-7-4-8-18-25)16-13-19-11-14-21(24)15-12-19/h2-3,5-6,9-12,14-15,22-23H,1,4,7-8,17-18H2.
What are the key properties of 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine?
1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine has a molecular weight of 349.91 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-4-phenylhex-5-en-1-yn-3-yl]piperidine is sourced from PubChem (CID 154716951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).