1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol

C15H24N2O2 — CID 63929256

IUPAC1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol
SMILESCOCC(O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-19-12-15(18)11-16-13-5-7-14(8-6-13)17-9-3-2-4-10-17/h5-8,15-16,18H,2-4,9-12H2,1H3
InChIKeyXYWFAXZZNUVUQO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds6

About 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol

1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol (PubChem CID 63929256) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol
PubChem CID63929256
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol
SMILESCOCC(O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C15H24N2O2/c1-19-12-15(18)11-16-13-5-7-14(8-6-13)17-9-3-2-4-10-17/h5-8,15-16,18H,2-4,9-12H2,1H3
InChIKeyXYWFAXZZNUVUQO-UHFFFAOYSA-N
XLogP2.10
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yloxy-3-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179695
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
methyl 2-methyl-3-(4-piperidin-1-ylanilino)propanoate
CID 63179793
(2R)-1-methoxy-3-(4-methylanilino)propan-2-ol
CID 1078645
methyl 2-methyl-3-(4-pyrrolidin-1-ylanilino)propanoate
CID 63179747
1-methoxy-4-[(4-pyrrolidin-1-ylphenyl)methylamino]butan-2-ol
CID 103876281
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150
1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
CID 60720235
1-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]propan-2-ol
CID 168636409
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol?
The IUPAC name of 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol (CID 63929256) is 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol.
What is the SMILES notation for 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol?
The canonical SMILES for 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol is COCC(O)CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol?
The InChIKey is XYWFAXZZNUVUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-19-12-15(18)11-16-13-5-7-14(8-6-13)17-9-3-2-4-10-17/h5-8,15-16,18H,2-4,9-12H2,1H3.
What are the key properties of 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol?
1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(4-piperidin-1-ylanilino)propan-2-ol is sourced from PubChem (CID 63929256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).