4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol

C16H26N2O — CID 115717016

IUPAC4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NC1CCN(C)CC1C
InChIInChI=1S/C16H26N2O/c1-12-11-18(3)9-8-16(12)17-13(2)10-14-4-6-15(19)7-5-14/h4-7,12-13,16-17,19H,8-11H2,1-3H3
InChIKeyXEDKAAQCYAQTPP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.25
Rot. Bonds4

About 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol

4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol (PubChem CID 115717016) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol
PubChem CID115717016
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NC1CCN(C)CC1C
InChIInChI=1S/C16H26N2O/c1-12-11-18(3)9-8-16(12)17-13(2)10-14-4-6-15(19)7-5-14/h4-7,12-13,16-17,19H,8-11H2,1-3H3
InChIKeyXEDKAAQCYAQTPP-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707305
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]benzene-1,3-diol
CID 107711309
N-(1-methoxypropan-2-yl)-1,3-dimethylpiperidin-4-amine
CID 115664125
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
1,3-dimethyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 115710203
2-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]-5-methoxyphenol
CID 104582308
1,3-dimethyl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 115706103
4-[2-[(4-propylcyclohexyl)amino]propyl]phenol
CID 78943354
4-[3-[(1-methylpiperidin-3-yl)amino]butyl]phenol
CID 61212712
N-[1-(4-chlorophenyl)propan-2-yl]-1,2,5-trimethylpiperidin-4-amine
CID 43677752
N-(1,3-dimethylpiperidin-4-yl)-3-phenyl-2-sulfanylpropanamide
CID 107036327

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol?
The IUPAC name of 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol (CID 115717016) is 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol.
What is the SMILES notation for 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol?
The canonical SMILES for 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol is CC(Cc1ccc(O)cc1)NC1CCN(C)CC1C.
What is the InChIKey of 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol?
The InChIKey is XEDKAAQCYAQTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-11-18(3)9-8-16(12)17-13(2)10-14-4-6-15(19)7-5-14/h4-7,12-13,16-17,19H,8-11H2,1-3H3.
What are the key properties of 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol?
4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1,3-dimethylpiperidin-4-yl)amino]propyl]phenol is sourced from PubChem (CID 115717016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).