4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid

C14H17NO3 — CID 71271047

IUPAC4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C14H17NO3/c16-10-13-3-1-11(2-4-13)9-12-5-7-15(8-6-12)14(17)18/h1-4,9,16H,5-8,10H2,(H,17,18)
InChIKeyNPEHIAJKGAMBQS-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.34
Rot. Bonds2

About 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid

4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid (PubChem CID 71271047) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid
PubChem CID71271047
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(=Cc2ccc(CO)cc2)CC1
InChIInChI=1S/C14H17NO3/c16-10-13-3-1-11(2-4-13)9-12-5-7-15(8-6-12)14(17)18/h1-4,9,16H,5-8,10H2,(H,17,18)
InChIKeyNPEHIAJKGAMBQS-UHFFFAOYSA-N
XLogP2.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(4-bromophenyl)methylidene]piperidin-1-yl]-3-hydroxypropan-1-one
CID 142480168
methyl 4-benzylidenepiperidine-1-carboxylate
CID 22893849
6-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 118007702
2-(4-benzylidenepiperidin-1-yl)-2-oxo-N-phenylacetamide
CID 59864375
4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
CID 166076228
ethane;ethyl 2-(4-benzylidenepiperidin-1-yl)-2-oxoacetate
CID 91434018
4-(2-oxoethylidene)piperidine-1-carboxylic acid
CID 23018030
N-[2-(4-benzylidenepiperidin-1-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 71977451
1-(4-benzylidenepiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 75408323
10-[[4-[(4,7,10-tricarboxy-1,4,7,10-tetrazacyclododec-1-yl)methyl]phenyl]methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 101418290
4-(hydroxymethyl)benzaldehyde;[4-(hydroxymethyl)phenyl]methanol
CID 157111710
(2R)-2-[[4-(hydroxymethyl)phenyl]methyl]piperazine-1,4-dicarboxylic acid
CID 68665483

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid (CID 71271047) is 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid is O=C(O)N1CCC(=Cc2ccc(CO)cc2)CC1.
What is the InChIKey of 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid?
The InChIKey is NPEHIAJKGAMBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-10-13-3-1-11(2-4-13)9-12-5-7-15(8-6-12)14(17)18/h1-4,9,16H,5-8,10H2,(H,17,18).
What are the key properties of 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid?
4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)phenyl]methylidene]piperidine-1-carboxylic acid is sourced from PubChem (CID 71271047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).