4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol

C16H26N2O — CID 115496086

IUPAC4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol
SMILESCC(N)C1CCCCN1C(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O/c1-12(11-14-6-8-15(19)9-7-14)18-10-4-3-5-16(18)13(2)17/h6-9,12-13,16,19H,3-5,10-11,17H2,1-2H3
InChIKeyMOOWUAWKKNKJKD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds4

About 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol

4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol (PubChem CID 115496086) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol.

Molecular Properties

Compound Name4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol
PubChem CID115496086
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol
SMILESCC(N)C1CCCCN1C(C)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O/c1-12(11-14-6-8-15(19)9-7-14)18-10-4-3-5-16(18)13(2)17/h6-9,12-13,16,19H,3-5,10-11,17H2,1-2H3
InChIKeyMOOWUAWKKNKJKD-UHFFFAOYSA-N
XLogP2.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-(4-fluorophenyl)propan-2-yl]piperidin-2-yl]ethanamine
CID 114832292
4-[1-[2-(1-aminoethyl)piperidin-1-yl]ethyl]phenol
CID 55169337
4-[2-(2-ethylazepan-1-yl)propyl]phenol
CID 104693189
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
2-[2-(1-aminoethyl)piperidin-1-yl]propan-1-ol
CID 130502556
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
1-[1-[1-(4-ethylphenyl)ethyl]piperidin-2-yl]ethanamine
CID 63254747
4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol
CID 115496098
2-amino-3-(4-hydroxyphenyl)-1-(2-methylazepan-1-yl)propan-1-one
CID 77020980
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496095
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[3-[2-(methylaminomethyl)piperidin-1-yl]butyl]phenol
CID 63249276

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol?
The IUPAC name of 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol (CID 115496086) is 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol.
What is the SMILES notation for 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol?
The canonical SMILES for 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol is CC(N)C1CCCCN1C(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol?
The InChIKey is MOOWUAWKKNKJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(11-14-6-8-15(19)9-7-14)18-10-4-3-5-16(18)13(2)17/h6-9,12-13,16,19H,3-5,10-11,17H2,1-2H3.
What are the key properties of 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol?
4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol is sourced from PubChem (CID 115496086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).