4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol

C15H24N2O — CID 135191521

IUPAC4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol
SMILESCC(C)(NCC1CCCCN1)c1ccc(O)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,12-6-8-14(18)9-7-12)17-11-13-5-3-4-10-16-13/h6-9,13,16-18H,3-5,10-11H2,1-2H3
InChIKeyCKZZZAFKYVDXDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds4

About 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol

4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol (PubChem CID 135191521) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol
PubChem CID135191521
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol
SMILESCC(C)(NCC1CCCCN1)c1ccc(O)cc1
InChIInChI=1S/C15H24N2O/c1-15(2,12-6-8-14(18)9-7-12)17-11-13-5-3-4-10-16-13/h6-9,13,16-18H,3-5,10-11H2,1-2H3
InChIKeyCKZZZAFKYVDXDZ-UHFFFAOYSA-N
XLogP2.36
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-hydroxy-1-piperidin-2-ylethyl)phenol
CID 83075523
2-(hydroxymethyl)-2-(piperidin-2-ylmethylamino)propane-1,3-diol
CID 107850497
4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethylamino)phenol
CID 115047766
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
2,2-dimethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 61167867
4-[2-(1-piperidin-2-ylpropan-2-ylamino)ethyl]phenol
CID 79536773
4-(1-piperidin-2-ylpropan-2-yloxy)phenol
CID 105496690

Frequently Asked Questions

What is the IUPAC name of 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol?
The IUPAC name of 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol (CID 135191521) is 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol.
What is the SMILES notation for 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol?
The canonical SMILES for 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol is CC(C)(NCC1CCCCN1)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol?
The InChIKey is CKZZZAFKYVDXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,12-6-8-14(18)9-7-12)17-11-13-5-3-4-10-16-13/h6-9,13,16-18H,3-5,10-11H2,1-2H3.
What are the key properties of 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol?
4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(piperidin-2-ylmethylamino)propan-2-yl]phenol is sourced from PubChem (CID 135191521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).