4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol

C17H28N2O — CID 106622418

IUPAC4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
SMILESCCN(CC1CCCCN1)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H28N2O/c1-3-19(13-16-6-4-5-11-18-16)14(2)12-15-7-9-17(20)10-8-15/h7-10,14,16,18,20H,3-6,11-13H2,1-2H3
InChIKeyRUPSXFJFQPIEGN-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.79
Rot. Bonds6

About 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol

4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol (PubChem CID 106622418) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
PubChem CID106622418
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
SMILESCCN(CC1CCCCN1)C(C)Cc1ccc(O)cc1
InChIInChI=1S/C17H28N2O/c1-3-19(13-16-6-4-5-11-18-16)14(2)12-15-7-9-17(20)10-8-15/h7-10,14,16,18,20H,3-6,11-13H2,1-2H3
InChIKeyRUPSXFJFQPIEGN-UHFFFAOYSA-N
XLogP2.79
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622859
N-ethyl-1-(2-fluorophenyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622603
2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606881
N-ethyl-N-(piperidin-2-ylmethyl)-1-(4-propylphenyl)ethanamine
CID 106622495
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol (CID 106622418) is 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol is CCN(CC1CCCCN1)C(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol?
The InChIKey is RUPSXFJFQPIEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(13-16-6-4-5-11-18-16)14(2)12-15-7-9-17(20)10-8-15/h7-10,14,16,18,20H,3-6,11-13H2,1-2H3.
What are the key properties of 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol?
4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol is sourced from PubChem (CID 106622418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).