3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal

C14H17NO2 — CID 169459908

IUPAC3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal
SMILESO=CC=Cc1ccc(C2(O)CCNCC2)cc1
InChIInChI=1S/C14H17NO2/c16-11-1-2-12-3-5-13(6-4-12)14(17)7-9-15-10-8-14/h1-6,11,15,17H,7-10H2
InChIKeyMFLVMSIXASONKM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds3

About 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal

3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal (PubChem CID 169459908) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal.

Molecular Properties

Compound Name3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal
PubChem CID169459908
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal
SMILESO=CC=Cc1ccc(C2(O)CCNCC2)cc1
InChIInChI=1S/C14H17NO2/c16-11-1-2-12-3-5-13(6-4-12)14(17)7-9-15-10-8-14/h1-6,11,15,17H,7-10H2
InChIKeyMFLVMSIXASONKM-UHFFFAOYSA-N
XLogP1.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-sulfanylbut-1-enyl)phenyl]piperidin-4-ol
CID 170479285
4-(1-hydroxycyclobutyl)benzaldehyde
CID 156800908
(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
CID 10427370
4-(4-benzylphenyl)piperidin-4-ol
CID 15057300
4-(3,5-dimethylphenyl)piperidin-4-ol
CID 23149822
4-(4-phenylphenyl)azepan-4-ol
CID 103982949
9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate
CID 169470517
4-(3,4-difluorophenyl)piperidin-4-ol;hydrochloride
CID 129319882
4-[(E)-2-(4-fluorophenyl)ethenyl]piperidin-4-ol
CID 59003476
2-ethyl-4-(4-hydroxypiperidin-4-yl)benzoic acid
CID 68969973
(E)-3-(4-phosphanylphenyl)prop-2-enal
CID 90084766
3-(4-phosphanylphenyl)prop-2-enal
CID 142052620

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal?
The IUPAC name of 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal (CID 169459908) is 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal.
What is the SMILES notation for 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal?
The canonical SMILES for 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal is O=CC=Cc1ccc(C2(O)CCNCC2)cc1.
What is the InChIKey of 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal?
The InChIKey is MFLVMSIXASONKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-11-1-2-12-3-5-13(6-4-12)14(17)7-9-15-10-8-14/h1-6,11,15,17H,7-10H2.
What are the key properties of 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal?
3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal has a molecular weight of 231.30 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enal is sourced from PubChem (CID 169459908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).