1-[4-(N-phenylanilino)butyl]piperidin-4-ol

C21H28N2O — CID 59372998

IUPAC1-[4-(N-phenylanilino)butyl]piperidin-4-ol
SMILESOC1CCN(CCCCN(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c24-21-13-17-22(18-14-21)15-7-8-16-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21,24H,7-8,13-18H2
InChIKeyBQWNGRZGMROBFJ-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.06
Rot. Bonds7

About 1-[4-(N-phenylanilino)butyl]piperidin-4-ol

1-[4-(N-phenylanilino)butyl]piperidin-4-ol (PubChem CID 59372998) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[4-(N-phenylanilino)butyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(N-phenylanilino)butyl]piperidin-4-ol
PubChem CID59372998
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[4-(N-phenylanilino)butyl]piperidin-4-ol
SMILESOC1CCN(CCCCN(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c24-21-13-17-22(18-14-21)15-7-8-16-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21,24H,7-8,13-18H2
InChIKeyBQWNGRZGMROBFJ-UHFFFAOYSA-N
XLogP4.06
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[6-(N-phenylanilino)hexyl]piperidine-3-carboxylic acid;hydrochloride
CID 45261987
1-[3-(N-phenylanilino)propyl]piperidine-3-carboxylic acid;hydrochloride
CID 70230026
1-[2-[4-(N-phenylanilino)butoxy]ethyl]piperidine-3-carboxylic acid
CID 21266393
N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol
CID 90656671
1-[3-(dimethylamino)propyl]piperidin-4-ol
CID 82075263
1-[4-[2-(2-phenylethenyl)phenoxy]butyl]piperidin-4-ol
CID 54409840
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-(4-hydroxypiperidin-1-yl)-N-methyl-N-(3-phenoxypropyl)acetamide
CID 60501458
2-[3-(4-hydroxypiperidin-1-yl)propyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 118724839

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N-phenylanilino)butyl]piperidin-4-ol?
The IUPAC name of 1-[4-(N-phenylanilino)butyl]piperidin-4-ol (CID 59372998) is 1-[4-(N-phenylanilino)butyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(N-phenylanilino)butyl]piperidin-4-ol?
The canonical SMILES for 1-[4-(N-phenylanilino)butyl]piperidin-4-ol is OC1CCN(CCCCN(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(N-phenylanilino)butyl]piperidin-4-ol?
The InChIKey is BQWNGRZGMROBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c24-21-13-17-22(18-14-21)15-7-8-16-23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-6,9-12,21,24H,7-8,13-18H2.
What are the key properties of 1-[4-(N-phenylanilino)butyl]piperidin-4-ol?
1-[4-(N-phenylanilino)butyl]piperidin-4-ol has a molecular weight of 324.47 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N-phenylanilino)butyl]piperidin-4-ol is sourced from PubChem (CID 59372998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).