1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C14H29NO3 — CID 111116658

IUPAC1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(O)C1CCN(CC(O)COC(C)(C)C)CC1
InChIInChI=1S/C14H29NO3/c1-11(16)12-5-7-15(8-6-12)9-13(17)10-18-14(2,3)4/h11-13,16-17H,5-10H2,1-4H3
InChIKeyMEZDJKQBCRRSGQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.26
Rot. Bonds5

About 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 111116658) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID111116658
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(O)C1CCN(CC(O)COC(C)(C)C)CC1
InChIInChI=1S/C14H29NO3/c1-11(16)12-5-7-15(8-6-12)9-13(17)10-18-14(2,3)4/h11-13,16-17H,5-10H2,1-4H3
InChIKeyMEZDJKQBCRRSGQ-UHFFFAOYSA-N
XLogP1.26
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898534
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110900549
1-[4-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110012066
1-[4-(2,2-difluoroethyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 48966438
1-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propan-1-one
CID 110923003
(2S)-1-(4-cyclopropyl-1,4-diazepan-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 97210895
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63987820

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 111116658) is 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(O)C1CCN(CC(O)COC(C)(C)C)CC1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is MEZDJKQBCRRSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-11(16)12-5-7-15(8-6-12)9-13(17)10-18-14(2,3)4/h11-13,16-17H,5-10H2,1-4H3.
What are the key properties of 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 111116658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).