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

C16H26N2O — CID 106622859

IUPAC4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(C)CC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-13(11-14-6-8-16(19)9-7-14)18(2)12-15-5-3-4-10-17-15/h6-9,13,15,17,19H,3-5,10-12H2,1-2H3
InChIKeyFQHXASCFAGFSLB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.40
Rot. Bonds5

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

4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol (PubChem CID 106622859) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
PubChem CID106622859
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N(C)CC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-13(11-14-6-8-16(19)9-7-14)18(2)12-15-5-3-4-10-17-15/h6-9,13,15,17,19H,3-5,10-12H2,1-2H3
InChIKeyFQHXASCFAGFSLB-UHFFFAOYSA-N
XLogP2.40
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622418
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
1-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602939
2-[1-[piperidin-2-ylmethyl(propan-2-yl)amino]ethyl]benzene-1,4-diol
CID 106622226
4-(1-piperidin-2-ylpropan-2-yloxy)phenol
CID 105496690
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
2-[1-(4-fluorophenyl)propan-2-yl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606881
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
2-(4-chlorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626635

Frequently Asked Questions

What is the IUPAC name of 4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol?
The IUPAC name of 4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol (CID 106622859) is 4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol is CC(Cc1ccc(O)cc1)N(C)CC1CCCCN1.
What is the InChIKey of 4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol?
The InChIKey is FQHXASCFAGFSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(11-14-6-8-16(19)9-7-14)18(2)12-15-5-3-4-10-17-15/h6-9,13,15,17,19H,3-5,10-12H2,1-2H3.
What are the key properties of 4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol?
4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[methyl(piperidin-2-ylmethyl)amino]propyl]phenol is sourced from PubChem (CID 106622859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).