4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol

C17H28N2O3 — CID 18002858

IUPAC4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
SMILESCC(C)Oc1ccc(N(C)CC(O)C2(O)CCNCC2)cc1
InChIInChI=1S/C17H28N2O3/c1-13(2)22-15-6-4-14(5-7-15)19(3)12-16(20)17(21)8-10-18-11-9-17/h4-7,13,16,18,20-21H,8-12H2,1-3H3
InChIKeyNLEUATSEHASEHO-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.39
Rot. Bonds6

About 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol

4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol (PubChem CID 18002858) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
PubChem CID18002858
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
SMILESCC(C)Oc1ccc(N(C)CC(O)C2(O)CCNCC2)cc1
InChIInChI=1S/C17H28N2O3/c1-13(2)22-15-6-4-14(5-7-15)19(3)12-16(20)17(21)8-10-18-11-9-17/h4-7,13,16,18,20-21H,8-12H2,1-3H3
InChIKeyNLEUATSEHASEHO-UHFFFAOYSA-N
XLogP1.39
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(N-methyl-4-propan-2-yloxyanilino)methyl]piperidin-4-ol
CID 18002840
N-[2-(4-methoxypiperidin-4-yl)ethyl]-N-methyl-4-propan-2-yloxyaniline
CID 18002902
4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol
CID 21300791
4-[(4-propan-2-yloxyanilino)methyl]piperidin-4-ol
CID 95470994
3-methyl-4-(N-methyl-4-propan-2-yloxyanilino)butanoic acid
CID 115219827
N-methyl-4-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208162
1-[2-(4-fluorophenyl)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 15550327
N',2,2-trimethyl-N'-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 115204805
4-[[4-hydroxy-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 21300628
1-[2-(4-fluorophenoxy)ethyl]-4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol;dihydrochloride
CID 21300652
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
4-[2-(N-methyl-4-propan-2-yloxyanilino)ethyl]-1-(2-phenoxyethyl)piperidin-4-ol;dihydrochloride
CID 21300860

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol?
The IUPAC name of 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol (CID 18002858) is 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol.
What is the SMILES notation for 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol?
The canonical SMILES for 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol is CC(C)Oc1ccc(N(C)CC(O)C2(O)CCNCC2)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol?
The InChIKey is NLEUATSEHASEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13(2)22-15-6-4-14(5-7-15)19(3)12-16(20)17(21)8-10-18-11-9-17/h4-7,13,16,18,20-21H,8-12H2,1-3H3.
What are the key properties of 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol?
4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol has a molecular weight of 308.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol is sourced from PubChem (CID 18002858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).