2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol

C17H28N2O — CID 106625108

IUPAC2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
SMILESCCCN(CC1CCCNC1)C(C)c1ccccc1O
InChIInChI=1S/C17H28N2O/c1-3-11-19(13-15-7-6-10-18-12-15)14(2)16-8-4-5-9-17(16)20/h4-5,8-9,14-15,18,20H,3,6-7,10-13H2,1-2H3
InChIKeyLMWFMNFKUHBHPC-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.16
Rot. Bonds6

About 2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol

2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol (PubChem CID 106625108) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
PubChem CID106625108
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol
SMILESCCCN(CC1CCCNC1)C(C)c1ccccc1O
InChIInChI=1S/C17H28N2O/c1-3-11-19(13-15-7-6-10-18-12-15)14(2)16-8-4-5-9-17(16)20/h4-5,8-9,14-15,18,20H,3,6-7,10-13H2,1-2H3
InChIKeyLMWFMNFKUHBHPC-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-[piperidin-4-ylmethyl(propyl)amino]ethyl]phenol
CID 79715840
2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
1-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625214
N-[1-(2-chloro-4-fluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625264
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625272
3-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]benzonitrile
CID 106625324
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
4-[1-[piperidin-4-ylmethyl(propyl)amino]ethyl]benzene-1,3-diol
CID 79696967
2-[1-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]ethyl]phenol
CID 106606415
1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625188
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894

Frequently Asked Questions

What is the IUPAC name of 2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol (CID 106625108) is 2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol is CCCN(CC1CCCNC1)C(C)c1ccccc1O.
What is the InChIKey of 2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol?
The InChIKey is LMWFMNFKUHBHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-11-19(13-15-7-6-10-18-12-15)14(2)16-8-4-5-9-17(16)20/h4-5,8-9,14-15,18,20H,3,6-7,10-13H2,1-2H3.
What are the key properties of 2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol?
2-[1-[piperidin-3-ylmethyl(propyl)amino]ethyl]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-[piperidin-3-ylmethyl(propyl)amino]ethyl]phenol is sourced from PubChem (CID 106625108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).