4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol

C14H18ClNO — CID 78834166

IUPAC4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol
SMILESC=C(Cl)CN1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H18ClNO/c1-11(15)10-16-8-6-13(7-9-16)12-2-4-14(17)5-3-12/h2-5,13,17H,1,6-10H2
InChIKeyYWHFJGPOEWIJSR-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.32
Rot. Bonds3

About 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol

4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol (PubChem CID 78834166) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol
PubChem CID78834166
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol
SMILESC=C(Cl)CN1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C14H18ClNO/c1-11(15)10-16-8-6-13(7-9-16)12-2-4-14(17)5-3-12/h2-5,13,17H,1,6-10H2
InChIKeyYWHFJGPOEWIJSR-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol?
The IUPAC name of 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol (CID 78834166) is 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol.
What is the SMILES notation for 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol?
The canonical SMILES for 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol is C=C(Cl)CN1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol?
The InChIKey is YWHFJGPOEWIJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-11(15)10-16-8-6-13(7-9-16)12-2-4-14(17)5-3-12/h2-5,13,17H,1,6-10H2.
What are the key properties of 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol?
4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol has a molecular weight of 251.76 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloroprop-2-enyl)piperidin-4-yl]phenol is sourced from PubChem (CID 78834166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).