(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine

C10H21NO — CID 167395488

IUPAC(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
SMILESCOC[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C10H21NO/c1-9(2)11-6-4-5-10(7-11)8-12-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyWXIUHFSVTIOVPT-JTQLQIEISA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds3

About (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine

(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine (PubChem CID 167395488) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
PubChem CID167395488
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
SMILESCOC[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C10H21NO/c1-9(2)11-6-4-5-10(7-11)8-12-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyWXIUHFSVTIOVPT-JTQLQIEISA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
N,N-dimethyl-1-(1-propan-2-ylpiperidin-3-yl)methanamine;ethane;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 163258201
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
[(3R)-1-propan-2-ylpiperidin-3-yl]methanol
CID 26722498
2-[[(3S)-1-propan-2-ylpiperidin-3-yl]methoxy]acetic acid
CID 162750163
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
N-[2-[3-(methoxymethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 106589290
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
O-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]hydroxylamine
CID 117126792
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-amine
CID 106586663
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
CID 129414278

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine?
The IUPAC name of (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine (CID 167395488) is (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine is COC[C@H]1CCCN(C(C)C)C1.
What is the InChIKey of (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine?
The InChIKey is WXIUHFSVTIOVPT-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)11-6-4-5-10(7-11)8-12-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine?
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 167395488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).