(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride

C21H29ClN2O2 — CID 171314543

IUPAC(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCCOc1cc([C@H](N)C2CCNCC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-2-24-20-14-18(21(22)17-10-12-23-13-11-17)8-9-19(20)25-15-16-6-4-3-5-7-16;/h3-9,14,17,21,23H,2,10-13,15,22H2,1H3;1H/t21-;/m1./s1
InChIKeyODNCMEUCHNCOPL-ZMBIFBSDSA-N
MW376.93 g/mol
LogP4.09
Rot. Bonds7

About (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride

(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314543) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314543
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCCOc1cc([C@H](N)C2CCNCC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-2-24-20-14-18(21(22)17-10-12-23-13-11-17)8-9-19(20)25-15-16-6-4-3-5-7-16;/h3-9,14,17,21,23H,2,10-13,15,22H2,1H3;1H/t21-;/m1./s1
InChIKeyODNCMEUCHNCOPL-ZMBIFBSDSA-N
XLogP4.09
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-cyclopropyl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230032
(R)-(3-ethoxy-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 171314559
4-[(R)-amino(piperidin-4-yl)methyl]-2-ethoxyphenol;hydrochloride
CID 171314179
(R)-(4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314574
(R)-cyclohexyl-(4-methoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171213011
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406
1-[(S)-cyclopentyl-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171280609
(S)-cyclopentyl-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 171234171
1-[(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305499
(1S,2R)-1-amino-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-2-ol;hydrochloride
CID 171269893
(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)pentan-1-amine;hydrochloride
CID 171230016
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171210418

Frequently Asked Questions

What is the IUPAC name of (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314543) is (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride is CCOc1cc([C@H](N)C2CCNCC2)ccc1OCc1ccccc1.Cl.
What is the InChIKey of (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is ODNCMEUCHNCOPL-ZMBIFBSDSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-2-24-20-14-18(21(22)17-10-12-23-13-11-17)8-9-19(20)25-15-16-6-4-3-5-7-16;/h3-9,14,17,21,23H,2,10-13,15,22H2,1H3;1H/t21-;/m1./s1.
What are the key properties of (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).