[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol

C17H26N2O — CID 171138106

IUPAC[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol
SMILESCN(C)c1ccc(C=CCN2CCCCC2CO)cc1
InChIInChI=1S/C17H26N2O/c1-18(2)16-10-8-15(9-11-16)6-5-13-19-12-4-3-7-17(19)14-20/h5-6,8-11,17,20H,3-4,7,12-14H2,1-2H3
InChIKeyOLOARAINLSJXOR-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.61
Rot. Bonds5

About [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol

[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol (PubChem CID 171138106) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol
PubChem CID171138106
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol
SMILESCN(C)c1ccc(C=CCN2CCCCC2CO)cc1
InChIInChI=1S/C17H26N2O/c1-18(2)16-10-8-15(9-11-16)6-5-13-19-12-4-3-7-17(19)14-20/h5-6,8-11,17,20H,3-4,7,12-14H2,1-2H3
InChIKeyOLOARAINLSJXOR-UHFFFAOYSA-N
XLogP2.61
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781111
N-cyclopropyl-1-[2-[1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 45207371
[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methanol
CID 6293793
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
(1-but-2-enylpyrrolidin-2-yl)methanol
CID 76932279
ethyl 1-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidine-4-carboxylate
CID 782562
4-[2-[1-[3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]ethyl]morpholine
CID 171135048
N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 30981297
[(2S)-1-[(E)-pent-2-enyl]pyrrolidin-2-yl]methanol
CID 102119727
4-[[1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]piperidin-2-yl]methyl]morpholine
CID 70717732
CID 173417054
CID 173417054

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol (CID 171138106) is [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol is CN(C)c1ccc(C=CCN2CCCCC2CO)cc1.
What is the InChIKey of [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol?
The InChIKey is OLOARAINLSJXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-18(2)16-10-8-15(9-11-16)6-5-13-19-12-4-3-7-17(19)14-20/h5-6,8-11,17,20H,3-4,7,12-14H2,1-2H3.
What are the key properties of [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol?
[1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol has a molecular weight of 274.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-2-yl]methanol is sourced from PubChem (CID 171138106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).