1-(piperidin-3-ylmethoxy)butan-2-ol

C10H21NO2 — CID 106939364

IUPAC1-(piperidin-3-ylmethoxy)butan-2-ol
SMILESCCC(O)COCC1CCCNC1
InChIInChI=1S/C10H21NO2/c1-2-10(12)8-13-7-9-4-3-5-11-6-9/h9-12H,2-8H2,1H3
InChIKeyTZYLEXHNEZZXRM-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.77
Rot. Bonds5

About 1-(piperidin-3-ylmethoxy)butan-2-ol

1-(piperidin-3-ylmethoxy)butan-2-ol (PubChem CID 106939364) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(piperidin-3-ylmethoxy)butan-2-ol
PubChem CID106939364
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(piperidin-3-ylmethoxy)butan-2-ol
SMILESCCC(O)COCC1CCCNC1
InChIInChI=1S/C10H21NO2/c1-2-10(12)8-13-7-9-4-3-5-11-6-9/h9-12H,2-8H2,1H3
InChIKeyTZYLEXHNEZZXRM-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
3-(2-methylpentoxymethyl)piperidine
CID 62339734
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
3-(pyrrolidin-3-ylmethoxy)propane-1,2-diol
CID 106938106
1-(piperidin-3-ylmethylamino)butan-2-ol
CID 102551549
(2S)-1-[[(3R)-piperidin-3-yl]methylamino]butan-2-ol
CID 99962951
methyl 2-bromo-3-(piperidin-3-ylmethoxy)propanoate
CID 83212383
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
2-methyl-1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939384
3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethoxy)butan-2-ol?
The IUPAC name of 1-(piperidin-3-ylmethoxy)butan-2-ol (CID 106939364) is 1-(piperidin-3-ylmethoxy)butan-2-ol.
What is the SMILES notation for 1-(piperidin-3-ylmethoxy)butan-2-ol?
The canonical SMILES for 1-(piperidin-3-ylmethoxy)butan-2-ol is CCC(O)COCC1CCCNC1.
What is the InChIKey of 1-(piperidin-3-ylmethoxy)butan-2-ol?
The InChIKey is TZYLEXHNEZZXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-10(12)8-13-7-9-4-3-5-11-6-9/h9-12H,2-8H2,1H3.
What are the key properties of 1-(piperidin-3-ylmethoxy)butan-2-ol?
1-(piperidin-3-ylmethoxy)butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethoxy)butan-2-ol is sourced from PubChem (CID 106939364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).