4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine

C18H23N — CID 142350162

IUPAC4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine
SMILESC#Cc1ccc(C2CCN(C(=C)CCC)CC2)cc1
InChIInChI=1S/C18H23N/c1-4-6-15(3)19-13-11-18(12-14-19)17-9-7-16(5-2)8-10-17/h2,7-10,18H,3-4,6,11-14H2,1H3
InChIKeyXHPGXRJDZUMKEX-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.16
Rot. Bonds4

About 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine

4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine (PubChem CID 142350162) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine.

Molecular Properties

Compound Name4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine
PubChem CID142350162
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine
SMILESC#Cc1ccc(C2CCN(C(=C)CCC)CC2)cc1
InChIInChI=1S/C18H23N/c1-4-6-15(3)19-13-11-18(12-14-19)17-9-7-16(5-2)8-10-17/h2,7-10,18H,3-4,6,11-14H2,1H3
InChIKeyXHPGXRJDZUMKEX-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(4,5-diethyl-2-methylphenyl)ethenyl]-3-(4-ethynylphenyl)pyrrolidine
CID 130216708
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
4-(4-ethynylphenyl)-1-(3-fluoropropyl)piperidine
CID 138735134
4-(4-ethynylphenyl)-1-[1-[6-methyl-4-propan-2-yl-3-(5-propyl-1H-1,2,4-triazol-3-yl)cyclohexa-1,5-dien-1-yl]ethenyl]piperidine
CID 142350143
(Z)-N'-[5-[1-[3-(4-ethynylphenyl)pyrrolidin-1-yl]ethenyl]-2-methylphenyl]-3-methylpent-1-ene-1,5-diamine
CID 126514685
1-(4-ethynylphenyl)-4-phenylpiperidine
CID 138735126
4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
CID 130216383
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
3-(4-ethynylphenyl)-5-(2-methylidenebutyl)piperidine
CID 167080791
[4-cyclobutyl-5-(5-ethyl-1H-pyrazol-3-yl)-2-methylphenyl]-[4-(4-ethynylphenyl)piperidin-1-yl]methanone
CID 157289205
4-[1-[1-[3-amino-4-(methylsulfanylmethyl)phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 89265409
butyl 4-(4-aminophenyl)piperidine-1-carboxylate
CID 90886963

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine?
The IUPAC name of 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine (CID 142350162) is 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine.
What is the SMILES notation for 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine?
The canonical SMILES for 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine is C#Cc1ccc(C2CCN(C(=C)CCC)CC2)cc1.
What is the InChIKey of 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine?
The InChIKey is XHPGXRJDZUMKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-4-6-15(3)19-13-11-18(12-14-19)17-9-7-16(5-2)8-10-17/h2,7-10,18H,3-4,6,11-14H2,1H3.
What are the key properties of 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine?
4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine has a molecular weight of 253.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethynylphenyl)-1-pent-1-en-2-ylpiperidine is sourced from PubChem (CID 142350162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).