(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol

C17H28N2O3 — CID 66516344

IUPAC(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol
SMILESCOc1cc([C@H](N)CO)ccc1OCCN1CCC(C)CC1
InChIInChI=1S/C17H28N2O3/c1-13-5-7-19(8-6-13)9-10-22-16-4-3-14(15(18)12-20)11-17(16)21-2/h3-4,11,13,15,20H,5-10,12,18H2,1-2H3/t15-/m1/s1
InChIKeyTWTZWUJIXPJEEH-OAHLLOKOSA-N
MW308.42 g/mol
LogP1.80
Rot. Bonds7

About (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol

(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol (PubChem CID 66516344) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol
PubChem CID66516344
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol
SMILESCOc1cc([C@H](N)CO)ccc1OCCN1CCC(C)CC1
InChIInChI=1S/C17H28N2O3/c1-13-5-7-19(8-6-13)9-10-22-16-4-3-14(15(18)12-20)11-17(16)21-2/h3-4,11,13,15,20H,5-10,12,18H2,1-2H3/t15-/m1/s1
InChIKeyTWTZWUJIXPJEEH-OAHLLOKOSA-N
XLogP1.80
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethanol
CID 66515047
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
(1S)-1-[3-methoxy-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 78936711
4-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethoxy]-3-methoxybenzonitrile
CID 111448281
(2R)-2-amino-2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515878
(2S)-2-amino-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 66515465
2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
CID 91371946
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 16614115
1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 167244414

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol (CID 66516344) is (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol is COc1cc([C@H](N)CO)ccc1OCCN1CCC(C)CC1.
What is the InChIKey of (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol?
The InChIKey is TWTZWUJIXPJEEH-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13-5-7-19(8-6-13)9-10-22-16-4-3-14(15(18)12-20)11-17(16)21-2/h3-4,11,13,15,20H,5-10,12,18H2,1-2H3/t15-/m1/s1.
What are the key properties of (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol?
(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol has a molecular weight of 308.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol is sourced from PubChem (CID 66516344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).