3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol

C16H26N2O — CID 57268633

IUPAC3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol
SMILESCNCCN1CC[C@@H](c2cccc(O)c2)[C@@H](C)C1C
InChIInChI=1S/C16H26N2O/c1-12-13(2)18(10-8-17-3)9-7-16(12)14-5-4-6-15(19)11-14/h4-6,11-13,16-17,19H,7-10H2,1-3H3/t12-,13?,16+/m0/s1
InChIKeyTUUSLHCGIOLZKU-GMRULEOSSA-N
MW262.40 g/mol
LogP2.43
Rot. Bonds4

About 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol

3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol (PubChem CID 57268633) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol
PubChem CID57268633
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol
SMILESCNCCN1CC[C@@H](c2cccc(O)c2)[C@@H](C)C1C
InChIInChI=1S/C16H26N2O/c1-12-13(2)18(10-8-17-3)9-7-16(12)14-5-4-6-15(19)11-14/h4-6,11-13,16-17,19H,7-10H2,1-3H3/t12-,13?,16+/m0/s1
InChIKeyTUUSLHCGIOLZKU-GMRULEOSSA-N
XLogP2.43
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol (CID 57268633) is 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol is CNCCN1CC[C@@H](c2cccc(O)c2)[C@@H](C)C1C.
What is the InChIKey of 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol?
The InChIKey is TUUSLHCGIOLZKU-GMRULEOSSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-13(2)18(10-8-17-3)9-7-16(12)14-5-4-6-15(19)11-14/h4-6,11-13,16-17,19H,7-10H2,1-3H3/t12-,13?,16+/m0/s1.
What are the key properties of 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol?
3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-2,3-dimethyl-1-[2-(methylamino)ethyl]piperidin-4-yl]phenol is sourced from PubChem (CID 57268633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).