4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol

C19H32N2O3 — CID 21300791

IUPAC4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol
SMILESCCCCOc1ccc(N(C)CC(OC)C2(O)CCNCC2)cc1
InChIInChI=1S/C19H32N2O3/c1-4-5-14-24-17-8-6-16(7-9-17)21(2)15-18(23-3)19(22)10-12-20-13-11-19/h6-9,18,20,22H,4-5,10-15H2,1-3H3
InChIKeyMAMRNXAFBZLLQW-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.43
Rot. Bonds9

About 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol

4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol (PubChem CID 21300791) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol
PubChem CID21300791
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol
SMILESCCCCOc1ccc(N(C)CC(OC)C2(O)CCNCC2)cc1
InChIInChI=1S/C19H32N2O3/c1-4-5-14-24-17-8-6-16(7-9-17)21(2)15-18(23-3)19(22)10-12-20-13-11-19/h6-9,18,20,22H,4-5,10-15H2,1-3H3
InChIKeyMAMRNXAFBZLLQW-UHFFFAOYSA-N
XLogP2.43
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-hydroxy-2-(N-methyl-4-propan-2-yloxyanilino)ethyl]piperidin-4-ol
CID 18002858
N-(4-butoxyphenyl)-N-methyl-2-(4-methylpiperidin-4-yl)acetamide
CID 21300933
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
N-(4-butoxyphenyl)-2-(4-hydroxypiperidin-4-yl)-2-methoxypropanamide
CID 90755079
4-[2-(4-butoxy-N-methylanilino)ethyl]-1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-ol
CID 21300799
2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-butoxyphenyl)-2-methoxy-N-methylacetamide
CID 21300923
4-hexoxy-N,N-dimethylaniline
CID 19782341
4-butoxy-N-[4-[4-[4-[4-(4-butoxy-N-(4-butoxyphenyl)anilino)phenoxy]phenoxy]phenoxy]phenyl]-N-(4-butoxyphenyl)aniline
CID 139670251
4-[2-(4-butoxy-N-methylanilino)ethyl]-1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-ol;dihydrochloride
CID 21300795
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
4-methoxy-N-(4-methoxyphenyl)-N-(4-octadecoxyphenyl)aniline
CID 139670157

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol?
The IUPAC name of 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol (CID 21300791) is 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol.
What is the SMILES notation for 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol?
The canonical SMILES for 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol is CCCCOc1ccc(N(C)CC(OC)C2(O)CCNCC2)cc1.
What is the InChIKey of 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol?
The InChIKey is MAMRNXAFBZLLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-4-5-14-24-17-8-6-16(7-9-17)21(2)15-18(23-3)19(22)10-12-20-13-11-19/h6-9,18,20,22H,4-5,10-15H2,1-3H3.
What are the key properties of 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol?
4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol has a molecular weight of 336.48 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butoxy-N-methylanilino)-1-methoxyethyl]piperidin-4-ol is sourced from PubChem (CID 21300791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).