2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol

C18H30N2O — CID 61237330

IUPAC2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol
SMILESCCCN1CCCC(C(C)Nc2ccc(CCO)cc2)C1
InChIInChI=1S/C18H30N2O/c1-3-11-20-12-4-5-17(14-20)15(2)19-18-8-6-16(7-9-18)10-13-21/h6-9,15,17,19,21H,3-5,10-14H2,1-2H3
InChIKeyRFUACOUSMFUGSP-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.14
Rot. Bonds7

About 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol

2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol (PubChem CID 61237330) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol
PubChem CID61237330
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol
SMILESCCCN1CCCC(C(C)Nc2ccc(CCO)cc2)C1
InChIInChI=1S/C18H30N2O/c1-3-11-20-12-4-5-17(14-20)15(2)19-18-8-6-16(7-9-18)10-13-21/h6-9,15,17,19,21H,3-5,10-14H2,1-2H3
InChIKeyRFUACOUSMFUGSP-UHFFFAOYSA-N
XLogP3.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308678
[3-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]methanol
CID 43714988
2-[4-(1-cyclohexylethylamino)phenyl]ethanol
CID 61239115
4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
1-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]pyrazol-4-amine
CID 43534727
4-chloro-3-methoxy-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 107620998
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
CID 60942690
4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307943
[4-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]urea
CID 43744846
2,3-dimethyl-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43308056
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol?
The IUPAC name of 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol (CID 61237330) is 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol?
The canonical SMILES for 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol is CCCN1CCCC(C(C)Nc2ccc(CCO)cc2)C1.
What is the InChIKey of 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol?
The InChIKey is RFUACOUSMFUGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-11-20-12-4-5-17(14-20)15(2)19-18-8-6-16(7-9-18)10-13-21/h6-9,15,17,19,21H,3-5,10-14H2,1-2H3.
What are the key properties of 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol?
2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol has a molecular weight of 290.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(1-propylpiperidin-3-yl)ethylamino]phenyl]ethanol is sourced from PubChem (CID 61237330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).