4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol

C15H20ClNO2 — CID 70501717

IUPAC4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol
SMILESCO/C=C(\C)c1cc(Cl)c(N2CCCCC2)cc1O
InChIInChI=1S/C15H20ClNO2/c1-11(10-19-2)12-8-13(16)14(9-15(12)18)17-6-4-3-5-7-17/h8-10,18H,3-7H2,1-2H3/b11-10+
InChIKeyMVSYNFJWWYPGGP-ZHACJKMWSA-N
MW281.78 g/mol
LogP4.04
Rot. Bonds3

About 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol

4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol (PubChem CID 70501717) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol
PubChem CID70501717
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol
SMILESCO/C=C(\C)c1cc(Cl)c(N2CCCCC2)cc1O
InChIInChI=1S/C15H20ClNO2/c1-11(10-19-2)12-8-13(16)14(9-15(12)18)17-6-4-3-5-7-17/h8-10,18H,3-7H2,1-2H3/b11-10+
InChIKeyMVSYNFJWWYPGGP-ZHACJKMWSA-N
XLogP4.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenyl] acetate
CID 70502742
1-(2,4,5-trichlorophenyl)pyrrolidine
CID 168512071
5-chloro-2-ethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 168515788
1-(4-bromo-2-chloro-5-methoxyphenyl)pyrrolidine
CID 168512756
[4-chloro-2-(1-methoxypropan-2-yl)-5-piperidin-1-ylphenyl] acetate
CID 70500719
5-chloro-6-piperidin-1-yl-2H-benzimidazole
CID 10585861
(E)-3-[4-(azocan-1-yl)-3-chlorophenyl]prop-2-enoic acid
CID 81155154
4-(azocan-1-yl)-3-chlorobenzoic acid
CID 63088316
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
3-chloro-4-piperidin-1-ylbenzoic acid
CID 18956231
5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride
CID 68824080
1-(2-chloro-4-fluorophenyl)piperidine
CID 174904360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol?
The IUPAC name of 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol (CID 70501717) is 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol.
What is the SMILES notation for 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol?
The canonical SMILES for 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol is CO/C=C(\C)c1cc(Cl)c(N2CCCCC2)cc1O.
What is the InChIKey of 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol?
The InChIKey is MVSYNFJWWYPGGP-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(10-19-2)12-8-13(16)14(9-15(12)18)17-6-4-3-5-7-17/h8-10,18H,3-7H2,1-2H3/b11-10+.
What are the key properties of 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol?
4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol has a molecular weight of 281.78 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-1-methoxyprop-1-en-2-yl]-5-piperidin-1-ylphenol is sourced from PubChem (CID 70501717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).