1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol

C17H27N3O2 — CID 68752102

IUPAC1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol
SMILESCOc1cc(N2CCC(N3CCCC(O)C3)CC2)ccc1N
InChIInChI=1S/C17H27N3O2/c1-22-17-11-14(4-5-16(17)18)19-9-6-13(7-10-19)20-8-2-3-15(21)12-20/h4-5,11,13,15,21H,2-3,6-10,12,18H2,1H3
InChIKeyZJJVVCHHIQYKLB-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.70
Rot. Bonds3

About 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol

1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol (PubChem CID 68752102) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol
PubChem CID68752102
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol
SMILESCOc1cc(N2CCC(N3CCCC(O)C3)CC2)ccc1N
InChIInChI=1S/C17H27N3O2/c1-22-17-11-14(4-5-16(17)18)19-9-6-13(7-10-19)20-8-2-3-15(21)12-20/h4-5,11,13,15,21H,2-3,6-10,12,18H2,1H3
InChIKeyZJJVVCHHIQYKLB-UHFFFAOYSA-N
XLogP1.70
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-4-(4-methylpiperazin-1-yl)aniline
CID 20136253
1-(2,5-Dimethoxyphenyl)piperazine
CID 2758473
2-Methoxy-4-morpholinoaniline hydrochloride
CID 21144261
2,5-Diethoxy-4-(4-morpholinyl)benzenamine
CID 98599
1-Piperazineethanol, alpha-((4-aminophenoxy)methyl)-4-(3-methoxyphenyl)-
CID 99097
2-{1-(2,2-Dimethylpropyl)-4-[1-(2-methoxyphenyl)-4-piperidinyl]-2-piperazinyl}ethanol
CID 23723665
2,3-dimethoxy-N-[4-(1-piperidinyl)phenyl]aniline
CID 44142168
N-(2,5-dimethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 772534
1-Piperazineethanol, alpha-((3-aminophenoxy)methyl)-4-(2-methoxyphenyl)-
CID 3049122
Benzenamine, 2,5-diethoxy-4-(4-morpholinyl)-, sulfate (1:?)
CID 73557245
4-(4-Acetyl-1-piperazinyl)-2-(methyloxy)aniline
CID 55232737
1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine
CID 56777249

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol (CID 68752102) is 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol is COc1cc(N2CCC(N3CCCC(O)C3)CC2)ccc1N.
What is the InChIKey of 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol?
The InChIKey is ZJJVVCHHIQYKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-22-17-11-14(4-5-16(17)18)19-9-6-13(7-10-19)20-8-2-3-15(21)12-20/h4-5,11,13,15,21H,2-3,6-10,12,18H2,1H3.
What are the key properties of 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol?
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol has a molecular weight of 305.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 68752102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).