2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol

C16H26N2O2 — CID 63596519

IUPAC2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N2CCC(C(C)N)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-11(17)13-6-8-18(9-7-13)12(2)15-10-14(20-3)4-5-16(15)19/h4-5,10-13,19H,6-9,17H2,1-3H3
InChIKeyMRNOVXRDXCLNNC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds4

About 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol

2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol (PubChem CID 63596519) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol
PubChem CID63596519
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(C(C)N2CCC(C(C)N)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-11(17)13-6-8-18(9-7-13)12(2)15-10-14(20-3)4-5-16(15)19/h4-5,10-13,19H,6-9,17H2,1-3H3
InChIKeyMRNOVXRDXCLNNC-UHFFFAOYSA-N
XLogP2.52
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-4-methoxyphenol
CID 55217645
1-[1-[1-(2,5-dimethoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975552
2-[1-[2-(1-aminoethyl)morpholin-4-yl]ethyl]-4-methoxyphenol
CID 115314994
2-[1-(4-aminopiperidin-1-yl)ethyl]benzene-1,4-diol
CID 43130831
2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171275894
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
2-[(1S,2R)-1-amino-2-cyclobutyl-2-hydroxyethyl]-4-methoxyphenol
CID 171267534
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
CID 63595827
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4-methoxyphenol;hydrochloride
CID 171261853
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 120838238

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol (CID 63596519) is 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol is COc1ccc(O)c(C(C)N2CCC(C(C)N)CC2)c1.
What is the InChIKey of 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol?
The InChIKey is MRNOVXRDXCLNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(17)13-6-8-18(9-7-13)12(2)15-10-14(20-3)4-5-16(15)19/h4-5,10-13,19H,6-9,17H2,1-3H3.
What are the key properties of 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol?
2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol has a molecular weight of 278.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1-aminoethyl)piperidin-1-yl]ethyl]-4-methoxyphenol is sourced from PubChem (CID 63596519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).