1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

C14H30N2O2 — CID 63987782

IUPAC1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCNC(C)C1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C14H30N2O2/c1-11(2)18-10-14(17)9-16-7-5-13(6-8-16)12(3)15-4/h11-15,17H,5-10H2,1-4H3
InChIKeyBYEIAYKXYYQUGC-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.09
Rot. Bonds7

About 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 63987782) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID63987782
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCNC(C)C1CCN(CC(O)COC(C)C)CC1
InChIInChI=1S/C14H30N2O2/c1-11(2)18-10-14(17)9-16-7-5-13(6-8-16)12(3)15-4/h11-15,17H,5-10H2,1-4H3
InChIKeyBYEIAYKXYYQUGC-UHFFFAOYSA-N
XLogP1.09
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820
(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
1-(4-piperidin-1-ylpiperidin-1-yl)-3-propan-2-yloxypropan-2-ol
CID 60966443
1-propan-2-yloxy-3-(4-propylazepan-1-yl)propan-2-ol
CID 62077210
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63989069
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
1-ethoxy-3-[4-(2-hydroxy-3-propan-2-yloxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 86763990
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056
N-ethyl-2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]acetamide
CID 78849332
1-(8-azaspiro[4.5]decan-8-yl)-3-propan-2-yloxypropan-2-ol
CID 63987208
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 63987782) is 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is CNC(C)C1CCN(CC(O)COC(C)C)CC1.
What is the InChIKey of 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is BYEIAYKXYYQUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-11(2)18-10-14(17)9-16-7-5-13(6-8-16)12(3)15-4/h11-15,17H,5-10H2,1-4H3.
What are the key properties of 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(methylamino)ethyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63987782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).