1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

C16H34N2O2 — CID 63987820

IUPAC1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2/c1-13(2)20-12-15(19)11-18-8-6-14(7-9-18)10-17-16(3,4)5/h13-15,17,19H,6-12H2,1-5H3
InChIKeyPDIAGHLZXWGJQS-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.87
Rot. Bonds7

About 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 63987820) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID63987820
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C16H34N2O2/c1-13(2)20-12-15(19)11-18-8-6-14(7-9-18)10-17-16(3,4)5/h13-15,17,19H,6-12H2,1-5H3
InChIKeyPDIAGHLZXWGJQS-UHFFFAOYSA-N
XLogP1.87
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987782
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63989069
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114496950
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
CID 129490017
(2S)-N-cyclopropyl-2-hydroxy-2-[1-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]piperidin-4-yl]acetamide
CID 129490018
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
1-(tert-butylamino)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 113317564
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 63987820) is 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN1CCC(CNC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is PDIAGHLZXWGJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-13(2)20-12-15(19)11-18-8-6-14(7-9-18)10-17-16(3,4)5/h13-15,17,19H,6-12H2,1-5H3.
What are the key properties of 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63987820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).