(2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol

C18H30N2O2 — CID 142942876

IUPAC(2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
SMILESCCNc1cccc(OC[C@@H](O)CN2CCCC[C@@H]2C)c1C
InChIInChI=1S/C18H30N2O2/c1-4-19-17-9-7-10-18(15(17)3)22-13-16(21)12-20-11-6-5-8-14(20)2/h7,9-10,14,16,19,21H,4-6,8,11-13H2,1-3H3/t14-,16-/m0/s1
InChIKeyQPUQRLDOBIZNBW-HOCLYGCPSA-N
MW306.45 g/mol
LogP3.04
Rot. Bonds7

About (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol

(2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol (PubChem CID 142942876) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
PubChem CID142942876
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
SMILESCCNc1cccc(OC[C@@H](O)CN2CCCC[C@@H]2C)c1C
InChIInChI=1S/C18H30N2O2/c1-4-19-17-9-7-10-18(15(17)3)22-13-16(21)12-20-11-6-5-8-14(20)2/h7,9-10,14,16,19,21H,4-6,8,11-13H2,1-3H3/t14-,16-/m0/s1
InChIKeyQPUQRLDOBIZNBW-HOCLYGCPSA-N
XLogP3.04
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-(4-chloro-2-methylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869844
1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 3395732
(2S)-1-(2,4-dibromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51678302
1-(3-methoxyphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 2770246
(2S)-1-(3,4-dimethylphenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 11869840
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
1-(2-methylpiperidin-1-yl)-3-[2-(thiophen-2-ylmethyl)phenoxy]propan-2-ol
CID 13277420

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol (CID 142942876) is (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol is CCNc1cccc(OC[C@@H](O)CN2CCCC[C@@H]2C)c1C.
What is the InChIKey of (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
The InChIKey is QPUQRLDOBIZNBW-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-19-17-9-7-10-18(15(17)3)22-13-16(21)12-20-11-6-5-8-14(20)2/h7,9-10,14,16,19,21H,4-6,8,11-13H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol?
(2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol has a molecular weight of 306.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(ethylamino)-2-methylphenoxy]-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol is sourced from PubChem (CID 142942876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).