1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol

C14H18ClNO — CID 169478400

IUPAC1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(C=CCCl)cc2)CC1
InChIInChI=1S/C14H18ClNO/c15-9-1-2-12-3-5-13(6-4-12)16-10-7-14(17)8-11-16/h1-6,14,17H,7-11H2
InChIKeyOURAYNRFKQFDFK-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.90
Rot. Bonds3

About 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol

1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol (PubChem CID 169478400) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol
PubChem CID169478400
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccc(C=CCCl)cc2)CC1
InChIInChI=1S/C14H18ClNO/c15-9-1-2-12-3-5-13(6-4-12)16-10-7-14(17)8-11-16/h1-6,14,17H,7-11H2
InChIKeyOURAYNRFKQFDFK-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol (CID 169478400) is 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol is OC1CCN(c2ccc(C=CCCl)cc2)CC1.
What is the InChIKey of 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol?
The InChIKey is OURAYNRFKQFDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-9-1-2-12-3-5-13(6-4-12)16-10-7-14(17)8-11-16/h1-6,14,17H,7-11H2.
What are the key properties of 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol?
1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol has a molecular weight of 251.76 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloroprop-1-enyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 169478400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).