1-(4-piperidin-1-ylanilino)propan-2-ol

C14H22N2O — CID 63179403

IUPAC1-(4-piperidin-1-ylanilino)propan-2-ol
SMILESCC(O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H22N2O/c1-12(17)11-15-13-5-7-14(8-6-13)16-9-3-2-4-10-16/h5-8,12,15,17H,2-4,9-11H2,1H3
InChIKeyLWXIGOMZTSFXKC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.47
Rot. Bonds4

About 1-(4-piperidin-1-ylanilino)propan-2-ol

1-(4-piperidin-1-ylanilino)propan-2-ol (PubChem CID 63179403) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-piperidin-1-ylanilino)propan-2-ol
PubChem CID63179403
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(4-piperidin-1-ylanilino)propan-2-ol
SMILESCC(O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H22N2O/c1-12(17)11-15-13-5-7-14(8-6-13)16-9-3-2-4-10-16/h5-8,12,15,17H,2-4,9-11H2,1H3
InChIKeyLWXIGOMZTSFXKC-UHFFFAOYSA-N
XLogP2.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol
CID 63929256
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150
methyl 2-methyl-3-(4-piperidin-1-ylanilino)propanoate
CID 63179793
1-propan-2-yloxy-3-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179695
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
methyl 2-methyl-3-(4-pyrrolidin-1-ylanilino)propanoate
CID 63179747
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
CID 60720235
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674358

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylanilino)propan-2-ol?
The IUPAC name of 1-(4-piperidin-1-ylanilino)propan-2-ol (CID 63179403) is 1-(4-piperidin-1-ylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-piperidin-1-ylanilino)propan-2-ol?
The canonical SMILES for 1-(4-piperidin-1-ylanilino)propan-2-ol is CC(O)CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(4-piperidin-1-ylanilino)propan-2-ol?
The InChIKey is LWXIGOMZTSFXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-12(17)11-15-13-5-7-14(8-6-13)16-9-3-2-4-10-16/h5-8,12,15,17H,2-4,9-11H2,1H3.
What are the key properties of 1-(4-piperidin-1-ylanilino)propan-2-ol?
1-(4-piperidin-1-ylanilino)propan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylanilino)propan-2-ol is sourced from PubChem (CID 63179403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).