4-[(2S,4R)-4-aminopiperidin-2-yl]phenol

C11H16N2O — CID 82656489

IUPAC4-[(2S,4R)-4-aminopiperidin-2-yl]phenol
SMILESN[C@@H]1CCN[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C11H16N2O/c12-9-5-6-13-11(7-9)8-1-3-10(14)4-2-8/h1-4,9,11,13-14H,5-7,12H2/t9-,11+/m1/s1
InChIKeyVMTIPLKUQGHQDO-KOLCDFICSA-N
MW192.26 g/mol
LogP1.14
Rot. Bonds1

About 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol

4-[(2S,4R)-4-aminopiperidin-2-yl]phenol (PubChem CID 82656489) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol.

Molecular Properties

Compound Name4-[(2S,4R)-4-aminopiperidin-2-yl]phenol
PubChem CID82656489
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name4-[(2S,4R)-4-aminopiperidin-2-yl]phenol
SMILESN[C@@H]1CCN[C@H](c2ccc(O)cc2)C1
InChIInChI=1S/C11H16N2O/c12-9-5-6-13-11(7-9)8-1-3-10(14)4-2-8/h1-4,9,11,13-14H,5-7,12H2/t9-,11+/m1/s1
InChIKeyVMTIPLKUQGHQDO-KOLCDFICSA-N
XLogP1.14
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S,4R)-4-methylpiperidin-2-yl]phenol
CID 138627789
2-thiophen-3-ylpiperidin-4-amine
CID 165483670
4-piperidin-2-ylphenol
CID 19711202
2-[3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 117000351
(2S,4S)-2-(2-methylphenyl)piperidin-4-amine
CID 82656145
(2S,4R)-2-(2-fluorophenyl)piperidin-4-amine
CID 82657044
(2R,4S)-2-(4-fluorophenyl)piperidin-4-ol
CID 67506323
2-[2-(4-fluorophenyl)piperidin-4-yl]acetic acid
CID 174645024
4-(cyclopropylmethyl)-2-phenylpiperidine
CID 174205891
(2S)-4-ethyl-2-phenylpiperidine
CID 170718389
[2-(4-propan-2-yloxyphenyl)piperidin-4-yl]methanol
CID 117000423
[2-(1,3-benzodioxol-5-yl)piperidin-4-yl]methanol
CID 83918973

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol?
The IUPAC name of 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol (CID 82656489) is 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol.
What is the SMILES notation for 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol?
The canonical SMILES for 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol is N[C@@H]1CCN[C@H](c2ccc(O)cc2)C1.
What is the InChIKey of 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol?
The InChIKey is VMTIPLKUQGHQDO-KOLCDFICSA-N. The full InChI is InChI=1S/C11H16N2O/c12-9-5-6-13-11(7-9)8-1-3-10(14)4-2-8/h1-4,9,11,13-14H,5-7,12H2/t9-,11+/m1/s1.
What are the key properties of 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol?
4-[(2S,4R)-4-aminopiperidin-2-yl]phenol has a molecular weight of 192.26 g/mol, XLogP of 1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4R)-4-aminopiperidin-2-yl]phenol is sourced from PubChem (CID 82656489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).