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

C16H26N2O — CID 106622282

IUPAC3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(Cc1cccc(O)c1)CC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-13(2)18(12-15-7-3-4-9-17-15)11-14-6-5-8-16(19)10-14/h5-6,8,10,13,15,17,19H,3-4,7,9,11-12H2,1-2H3
InChIKeyNFGOOEJOTBEOHB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.74
Rot. Bonds5

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

3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol (PubChem CID 106622282) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
PubChem CID106622282
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
SMILESCC(C)N(Cc1cccc(O)c1)CC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-13(2)18(12-15-7-3-4-9-17-15)11-14-6-5-8-16(19)10-14/h5-6,8,10,13,15,17,19H,3-4,7,9,11-12H2,1-2H3
InChIKeyNFGOOEJOTBEOHB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603247
3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622268
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-[(3-propoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602830
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
3-[[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 106607121
5-methoxy-2-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106621980
N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622205
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
4-[2-[ethyl(piperidin-2-ylmethyl)amino]propyl]phenol
CID 106622418

Frequently Asked Questions

What is the IUPAC name of 3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
The IUPAC name of 3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol (CID 106622282) is 3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol is CC(C)N(Cc1cccc(O)c1)CC1CCCCN1.
What is the InChIKey of 3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
The InChIKey is NFGOOEJOTBEOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)18(12-15-7-3-4-9-17-15)11-14-6-5-8-16(19)10-14/h5-6,8,10,13,15,17,19H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of 3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol?
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol is sourced from PubChem (CID 106622282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).