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

C17H28N2O — CID 80551485

IUPAC2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
SMILESCCNCC1CCN(C(CC)c2ccccc2O)CC1
InChIInChI=1S/C17H28N2O/c1-3-16(15-7-5-6-8-17(15)20)19-11-9-14(10-12-19)13-18-4-2/h5-8,14,16,18,20H,3-4,9-13H2,1-2H3
InChIKeyUILKYWLKQBUDSK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.16
Rot. Bonds6

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

2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol (PubChem CID 80551485) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol.

Molecular Properties

Compound Name2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
PubChem CID80551485
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
SMILESCCNCC1CCN(C(CC)c2ccccc2O)CC1
InChIInChI=1S/C17H28N2O/c1-3-16(15-7-5-6-8-17(15)20)19-11-9-14(10-12-19)13-18-4-2/h5-8,14,16,18,20H,3-4,9-13H2,1-2H3
InChIKeyUILKYWLKQBUDSK-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[4-(methoxymethyl)piperidin-1-yl]propyl]phenol
CID 82980997
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
N-[[1-[1-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550763
N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
CID 103465126
2-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244387
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556
2-[1-(4-propylpiperazin-1-yl)propyl]phenol
CID 82975217
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylpropan-2-ol
CID 63847704
2-[1-(3-methylpiperazin-1-yl)propyl]phenol
CID 65417239
4-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]-2-methoxyphenol
CID 80550597
5-[1-[4-(ethylaminomethyl)piperidin-1-yl]ethyl]benzene-1,3-diol
CID 107707674
N-[[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methyl]ethanamine
CID 119927809

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol?
The IUPAC name of 2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol (CID 80551485) is 2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol.
What is the SMILES notation for 2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol?
The canonical SMILES for 2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol is CCNCC1CCN(C(CC)c2ccccc2O)CC1.
What is the InChIKey of 2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol?
The InChIKey is UILKYWLKQBUDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-16(15-7-5-6-8-17(15)20)19-11-9-14(10-12-19)13-18-4-2/h5-8,14,16,18,20H,3-4,9-13H2,1-2H3.
What are the key properties of 2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol?
2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol has a molecular weight of 276.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol is sourced from PubChem (CID 80551485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).