4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol

C14H22N2O — CID 63254190

IUPAC4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
SMILESCC(N)C1CCCCN1Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O/c1-11(15)14-4-2-3-9-16(14)10-12-5-7-13(17)8-6-12/h5-8,11,14,17H,2-4,9-10,15H2,1H3
InChIKeyYCOBHJJDXYLZKS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.09
Rot. Bonds3

About 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol

4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol (PubChem CID 63254190) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
PubChem CID63254190
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
SMILESCC(N)C1CCCCN1Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O/c1-11(15)14-4-2-3-9-16(14)10-12-5-7-13(17)8-6-12/h5-8,11,14,17H,2-4,9-10,15H2,1H3
InChIKeyYCOBHJJDXYLZKS-UHFFFAOYSA-N
XLogP2.09
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
CID 55167435
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
CID 63254456
4-[2-[2-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 115496086
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 63255198
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzonitrile
CID 63254536
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119911778

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol?
The IUPAC name of 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol (CID 63254190) is 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol is CC(N)C1CCCCN1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol?
The InChIKey is YCOBHJJDXYLZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(15)14-4-2-3-9-16(14)10-12-5-7-13(17)8-6-12/h5-8,11,14,17H,2-4,9-10,15H2,1H3.
What are the key properties of 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol?
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 63254190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).