(3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol

C16H25N3O — CID 129385370

IUPAC(3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol
SMILESNc1ccc(N2CCC(N3CCC[C@@H](O)C3)CC2)cc1
InChIInChI=1S/C16H25N3O/c17-13-3-5-14(6-4-13)18-10-7-15(8-11-18)19-9-1-2-16(20)12-19/h3-6,15-16,20H,1-2,7-12,17H2/t16-/m1/s1
InChIKeyLZLIKTDOGDLOOP-MRXNPFEDSA-N
MW275.40 g/mol
LogP1.69
Rot. Bonds2

About (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol

(3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol (PubChem CID 129385370) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol
PubChem CID129385370
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol
SMILESNc1ccc(N2CCC(N3CCC[C@@H](O)C3)CC2)cc1
InChIInChI=1S/C16H25N3O/c17-13-3-5-14(6-4-13)18-10-7-15(8-11-18)19-9-1-2-16(20)12-19/h3-6,15-16,20H,1-2,7-12,17H2/t16-/m1/s1
InChIKeyLZLIKTDOGDLOOP-MRXNPFEDSA-N
XLogP1.69
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol
CID 68752102
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]aniline;methanethiol
CID 169149047
(3S)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidin-3-ol
CID 39801992
1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]piperidin-3-ol
CID 45252722
4-(4-azabicyclo[5.1.0]octan-4-yl)aniline
CID 70313854
(3R)-1-cyclooctylpiperidin-3-ol
CID 129493857
4-[4-[3-(methoxymethyl)azetidin-1-yl]piperidin-1-yl]aniline
CID 171547177
4-[4-amino-2-[4-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]anilino]-1,3-thiazole-5-carbonyl]benzoic acid
CID 11511961
1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
CID 159231607
(3R)-1-[1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]piperidin-3-ol
CID 95208997
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
4-[4-(3-fluoropiperidin-1-yl)piperidin-1-yl]benzonitrile
CID 169148819

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol (CID 129385370) is (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol is Nc1ccc(N2CCC(N3CCC[C@@H](O)C3)CC2)cc1.
What is the InChIKey of (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol?
The InChIKey is LZLIKTDOGDLOOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O/c17-13-3-5-14(6-4-13)18-10-7-15(8-11-18)19-9-1-2-16(20)12-19/h3-6,15-16,20H,1-2,7-12,17H2/t16-/m1/s1.
What are the key properties of (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol?
(3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol has a molecular weight of 275.40 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 129385370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).