2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol

C14H22N2O3 — CID 171314427

IUPAC2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c([C@H](N)C2CCNCC2)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-18-10-7-11(17)13(12(8-10)19-2)14(15)9-3-5-16-6-4-9/h7-9,14,16-17H,3-6,15H2,1-2H3/t14-/m1/s1
InChIKeyJGDCUYRRCMEILY-CQSZACIVSA-N
MW266.34 g/mol
LogP1.41
Rot. Bonds4

About 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol

2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol (PubChem CID 171314427) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol.

Molecular Properties

Compound Name2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol
PubChem CID171314427
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol
SMILESCOc1cc(O)c([C@H](N)C2CCNCC2)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-18-10-7-11(17)13(12(8-10)19-2)14(15)9-3-5-16-6-4-9/h7-9,14,16-17H,3-6,15H2,1-2H3/t14-/m1/s1
InChIKeyJGDCUYRRCMEILY-CQSZACIVSA-N
XLogP1.41
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(R)-amino(cyclohexyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171207108
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171263091
2-[(R)-cyclopropyl(piperazin-1-yl)methyl]-3,5-dimethoxyphenol;dihydrochloride
CID 171291535
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
4-[(R)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202408
4-[(S)-amino(cyclopropyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171221960
oxan-4-yl-(2,4,6-trimethoxyphenyl)methanamine
CID 62905832
3,5-dimethoxy-2-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171278919
4-[(R)-amino(cyclobutyl)methyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202406
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
2-[(1R)-1-amino-2,2-difluoroethyl]-3,5-dimethoxyphenol;hydrochloride
CID 171242035
2-[(1R)-1-amino-2-fluoroethyl]-3,5-dimethoxyphenol
CID 171226643

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol?
The IUPAC name of 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol (CID 171314427) is 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol.
What is the SMILES notation for 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol?
The canonical SMILES for 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol is COc1cc(O)c([C@H](N)C2CCNCC2)c(OC)c1.
What is the InChIKey of 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol?
The InChIKey is JGDCUYRRCMEILY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-18-10-7-11(17)13(12(8-10)19-2)14(15)9-3-5-16-6-4-9/h7-9,14,16-17H,3-6,15H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol?
2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol has a molecular weight of 266.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(piperidin-4-yl)methyl]-3,5-dimethoxyphenol is sourced from PubChem (CID 171314427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).