(3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride

C10H22ClNO2 — CID 155820392

IUPAC(3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride
SMILESCO[C@H]1CNC[C@@H](OC(C)(C)C)C1.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9-5-8(12-4)6-11-7-9;/h8-9,11H,5-7H2,1-4H3;1H/t8-,9+;/m1./s1
InChIKeySRTUFIMSMYQRPQ-RJUBDTSPSA-N
MW223.74 g/mol
LogP1.60
Rot. Bonds2

About (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride

(3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride (PubChem CID 155820392) has the molecular formula C10H22ClNO2 and a molecular weight of 223.74 g/mol. Its IUPAC name is (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride.

Molecular Properties

Compound Name(3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride
PubChem CID155820392
Molecular FormulaC10H22ClNO2
Molecular Weight223.74 g/mol
Exact Mass223.13
IUPAC Name(3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride
SMILESCO[C@H]1CNC[C@@H](OC(C)(C)C)C1.Cl
InChIInChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9-5-8(12-4)6-11-7-9;/h8-9,11H,5-7H2,1-4H3;1H/t8-,9+;/m1./s1
InChIKeySRTUFIMSMYQRPQ-RJUBDTSPSA-N
XLogP1.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-[(2-methylpropan-2-yl)oxy]piperidin-3-ol;hydrochloride
CID 155820306
(3R,5R)-5-methoxypiperidin-3-ol;hydrochloride
CID 138991486
5-methoxypiperidine-3-carbonitrile
CID 123182758
(5-methoxypiperidin-3-yl)methanol
CID 166104648
(3R)-3-[(2-methylpropan-2-yl)oxy]piperidine
CID 93493219
(3R,5R)-3-methoxy-5-propan-2-ylpiperidine
CID 139339698
(2S,4R)-2-(methoxymethyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine
CID 57326561
1,3,5-trimethoxycyclohexane
CID 547415
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate
CID 124509731
3-methoxypiperidine;hydrochloride
CID 23142000
3-(trideuteriomethoxy)azetidine;hydrochloride
CID 157244485
3-[(3R,5S)-5-methoxypiperidin-3-yl]propanoic acid
CID 97184533

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride?
The IUPAC name of (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride (CID 155820392) is (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride.
What is the SMILES notation for (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride?
The canonical SMILES for (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride is CO[C@H]1CNC[C@@H](OC(C)(C)C)C1.Cl.
What is the InChIKey of (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride?
The InChIKey is SRTUFIMSMYQRPQ-RJUBDTSPSA-N. The full InChI is InChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9-5-8(12-4)6-11-7-9;/h8-9,11H,5-7H2,1-4H3;1H/t8-,9+;/m1./s1.
What are the key properties of (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride?
(3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride has a molecular weight of 223.74 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-methoxy-5-[(2-methylpropan-2-yl)oxy]piperidine;hydrochloride is sourced from PubChem (CID 155820392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).