1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol

C22H30ClN3O2 — CID 159231607

IUPAC1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
SMILESNc1ccc(N2CCC(O)CC2)cc1.OC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H14ClNO.C11H16N2O/c2*12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4,11,14H,5-8H2;1-4,11,14H,5-8,12H2
InChIKeyKSYZSRGIIXECEZ-UHFFFAOYSA-N
MW403.95 g/mol
LogP3.53
Rot. Bonds2

About 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol

1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol (PubChem CID 159231607) has the molecular formula C22H30ClN3O2 and a molecular weight of 403.95 g/mol. Its IUPAC name is 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
PubChem CID159231607
Molecular FormulaC22H30ClN3O2
Molecular Weight403.95 g/mol
Exact Mass403.20
IUPAC Name1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol
SMILESNc1ccc(N2CCC(O)CC2)cc1.OC1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C11H14ClNO.C11H16N2O/c2*12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4,11,14H,5-8H2;1-4,11,14H,5-8,12H2
InChIKeyKSYZSRGIIXECEZ-UHFFFAOYSA-N
XLogP3.53
TPSA72.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.95
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[4-(2-aminoethyl)phenyl]piperidin-4-ol
CID 83822441
4-[4-(4-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 114762371
4-(4-azabicyclo[5.1.0]octan-4-yl)aniline
CID 70313854
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
1-(4-aminophenyl)-N,N-dimethylpiperidin-4-amine
CID 10889414
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
(3R)-1-[1-(4-aminophenyl)piperidin-4-yl]piperidin-3-ol
CID 129385370
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392
1-[4-(4-hydroxycyclohexyl)phenyl]piperidin-4-ol
CID 54277612
2-[1-(4-chlorophenyl)piperidin-4-yl]acetic acid
CID 82298626

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol?
The IUPAC name of 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol (CID 159231607) is 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol.
What is the SMILES notation for 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol?
The canonical SMILES for 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol is Nc1ccc(N2CCC(O)CC2)cc1.OC1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol?
The InChIKey is KSYZSRGIIXECEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.C11H16N2O/c2*12-9-1-3-10(4-2-9)13-7-5-11(14)6-8-13/h1-4,11,14H,5-8H2;1-4,11,14H,5-8,12H2.
What are the key properties of 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol?
1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol has a molecular weight of 403.95 g/mol, XLogP of 3.53, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)piperidin-4-ol;1-(4-chlorophenyl)piperidin-4-ol is sourced from PubChem (CID 159231607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).