4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol

C16H26N2O — CID 115496095

IUPAC4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCCC(CCN)C1
InChIInChI=1S/C16H26N2O/c1-13(11-14-4-6-16(19)7-5-14)18-10-2-3-15(12-18)8-9-17/h4-7,13,15,19H,2-3,8-12,17H2,1H3
InChIKeyJSZRFNPQWMESDZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.38
Rot. Bonds5

About 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol

4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol (PubChem CID 115496095) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol.

Molecular Properties

Compound Name4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
PubChem CID115496095
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol
SMILESCC(Cc1ccc(O)cc1)N1CCCC(CCN)C1
InChIInChI=1S/C16H26N2O/c1-13(11-14-4-6-16(19)7-5-14)18-10-2-3-15(12-18)8-9-17/h4-7,13,15,19H,2-3,8-12,17H2,1H3
InChIKeyJSZRFNPQWMESDZ-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 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 ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[3-(dimethylamino)piperidin-1-yl]propyl]phenol
CID 82983896
2-[1-[1-(2-fluorophenyl)propan-2-yl]piperidin-3-yl]ethanamine
CID 114832329
4-[3-(3-ethylpiperidin-1-yl)butyl]phenol
CID 82976975
4-[2-(4-amino-3-methylpiperidin-1-yl)propyl]phenol
CID 113323165
4-[2-[4-[2-(methylamino)ethyl]piperidin-1-yl]propyl]phenol
CID 115496100
3-[1-[1-(4-hydroxyphenyl)propan-2-yl]piperidin-4-yl]propanoic acid
CID 115496186
2-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728118
4-[2-(3,4,5-trimethylpiperazin-1-yl)propyl]phenol
CID 114541108
(3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol
CID 129494667
4-[2-(3,5-dimethylpiperazin-1-yl)propyl]phenol
CID 113323158
4-[2-[5-(aminomethyl)-2-methylpiperidin-1-yl]propyl]phenol
CID 115496098
4-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]propyl]phenol
CID 115496143

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol?
The IUPAC name of 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol (CID 115496095) is 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol.
What is the SMILES notation for 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol?
The canonical SMILES for 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol is CC(Cc1ccc(O)cc1)N1CCCC(CCN)C1.
What is the InChIKey of 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol?
The InChIKey is JSZRFNPQWMESDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(11-14-4-6-16(19)7-5-14)18-10-2-3-15(12-18)8-9-17/h4-7,13,15,19H,2-3,8-12,17H2,1H3.
What are the key properties of 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol?
4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-aminoethyl)piperidin-1-yl]propyl]phenol is sourced from PubChem (CID 115496095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).