4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride

C14H23ClN2O2 — CID 171314179

IUPAC4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@H](N)C2CCNCC2)ccc1O.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-2-18-13-9-11(3-4-12(13)17)14(15)10-5-7-16-8-6-10;/h3-4,9-10,14,16-17H,2,5-8,15H2,1H3;1H/t14-;/m1./s1
InChIKeyCEGKOFGXLHNSBZ-PFEQFJNWSA-N
MW286.80 g/mol
LogP2.21
Rot. Bonds4

About 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride

4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride (PubChem CID 171314179) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride.

Molecular Properties

Compound Name4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride
PubChem CID171314179
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride
SMILESCCOc1cc([C@H](N)C2CCNCC2)ccc1O.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-2-18-13-9-11(3-4-12(13)17)14(15)10-5-7-16-8-6-10;/h3-4,9-10,14,16-17H,2,5-8,15H2,1H3;1H/t14-;/m1./s1
InChIKeyCEGKOFGXLHNSBZ-PFEQFJNWSA-N
XLogP2.21
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(S)-amino(cyclopropyl)methyl]-2-ethoxyphenol;hydrochloride
CID 171220383
4-[(R)-amino(cyclopropyl)methyl]-2-ethoxyphenol
CID 171200844
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314543
4-[(R)-amino(piperidin-4-yl)methyl]-2-chlorophenol
CID 171314242
4-[(S)-cyclopentyl(piperazin-1-yl)methyl]-2-ethoxyphenol
CID 171274564
(S)-cyclopropyl-(4-ethoxy-3-methoxyphenyl)methanamine
CID 171231843
4-[(1R)-1-aminopentyl]-2-ethoxyphenol;hydrochloride
CID 171200829
4-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-ethoxyphenol;hydrochloride
CID 171200839
4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171207484
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
(S)-(4-ethoxy-3-methoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171243693

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride?
The IUPAC name of 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride (CID 171314179) is 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride.
What is the SMILES notation for 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride?
The canonical SMILES for 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride is CCOc1cc([C@H](N)C2CCNCC2)ccc1O.Cl.
What is the InChIKey of 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride?
The InChIKey is CEGKOFGXLHNSBZ-PFEQFJNWSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-2-18-13-9-11(3-4-12(13)17)14(15)10-5-7-16-8-6-10;/h3-4,9-10,14,16-17H,2,5-8,15H2,1H3;1H/t14-;/m1./s1.
What are the key properties of 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride?
4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride is sourced from PubChem (CID 171314179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).