3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol

C16H25FN2O — CID 106622268

IUPAC3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(Cc1cc(O)cc(F)c1)CC1CCCCN1
InChIInChI=1S/C16H25FN2O/c1-12(2)19(11-15-5-3-4-6-18-15)10-13-7-14(17)9-16(20)8-13/h7-9,12,15,18,20H,3-6,10-11H2,1-2H3
InChIKeyMQHXVPKIGPQUKJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.88
Rot. Bonds5

About 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol

3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol (PubChem CID 106622268) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
PubChem CID106622268
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(Cc1cc(O)cc(F)c1)CC1CCCCN1
InChIInChI=1S/C16H25FN2O/c1-12(2)19(11-15-5-3-4-6-18-15)10-13-7-14(17)9-16(20)8-13/h7-9,12,15,18,20H,3-6,10-11H2,1-2H3
InChIKeyMQHXVPKIGPQUKJ-UHFFFAOYSA-N
XLogP2.88
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106621980
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
N-[(2-chloro-5-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614617
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622205
3-fluoro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626366
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
N-[1-(3,5-difluorophenyl)ethyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623383
N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol (CID 106622268) is 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol is CC(C)N(Cc1cc(O)cc(F)c1)CC1CCCCN1.
What is the InChIKey of 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is MQHXVPKIGPQUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-12(2)19(11-15-5-3-4-6-18-15)10-13-7-14(17)9-16(20)8-13/h7-9,12,15,18,20H,3-6,10-11H2,1-2H3.
What are the key properties of 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 280.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 106622268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).