3-(1-amino-2-piperidin-1-ylethyl)phenol

C13H20N2O — CID 117242599

IUPAC3-(1-amino-2-piperidin-1-ylethyl)phenol
SMILESNC(CN1CCCCC1)c1cccc(O)c1
InChIInChI=1S/C13H20N2O/c14-13(10-15-7-2-1-3-8-15)11-5-4-6-12(16)9-11/h4-6,9,13,16H,1-3,7-8,10,14H2
InChIKeyVCBICDUMBJIHOB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.88
Rot. Bonds3

About 3-(1-amino-2-piperidin-1-ylethyl)phenol

3-(1-amino-2-piperidin-1-ylethyl)phenol (PubChem CID 117242599) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(1-amino-2-piperidin-1-ylethyl)phenol.

Molecular Properties

Compound Name3-(1-amino-2-piperidin-1-ylethyl)phenol
PubChem CID117242599
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(1-amino-2-piperidin-1-ylethyl)phenol
SMILESNC(CN1CCCCC1)c1cccc(O)c1
InChIInChI=1S/C13H20N2O/c14-13(10-15-7-2-1-3-8-15)11-5-4-6-12(16)9-11/h4-6,9,13,16H,1-3,7-8,10,14H2
InChIKeyVCBICDUMBJIHOB-UHFFFAOYSA-N
XLogP1.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
2-[1-amino-2-(azepan-1-yl)ethyl]phenol
CID 117243601
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
3-[[3-(1-amino-2-pyrrolidin-1-ylethyl)phenoxy]methyl]aniline
CID 123369109
2-(azepan-1-yl)-1-(4-bromophenyl)ethanamine
CID 16643571
3-(2-amino-1-pyrrolidin-1-ylethyl)phenol
CID 16790598
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylethanamine
CID 16643528
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054
3-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171218055
1-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 16643517

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-piperidin-1-ylethyl)phenol?
The IUPAC name of 3-(1-amino-2-piperidin-1-ylethyl)phenol (CID 117242599) is 3-(1-amino-2-piperidin-1-ylethyl)phenol.
What is the SMILES notation for 3-(1-amino-2-piperidin-1-ylethyl)phenol?
The canonical SMILES for 3-(1-amino-2-piperidin-1-ylethyl)phenol is NC(CN1CCCCC1)c1cccc(O)c1.
What is the InChIKey of 3-(1-amino-2-piperidin-1-ylethyl)phenol?
The InChIKey is VCBICDUMBJIHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c14-13(10-15-7-2-1-3-8-15)11-5-4-6-12(16)9-11/h4-6,9,13,16H,1-3,7-8,10,14H2.
What are the key properties of 3-(1-amino-2-piperidin-1-ylethyl)phenol?
3-(1-amino-2-piperidin-1-ylethyl)phenol has a molecular weight of 220.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-piperidin-1-ylethyl)phenol is sourced from PubChem (CID 117242599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).