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

C14H29NO3 — CID 107264000

IUPAC1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCC(C(C)O)CC1
InChIInChI=1S/C14H29NO3/c1-3-4-9-18-11-14(17)10-15-7-5-13(6-8-15)12(2)16/h12-14,16-17H,3-11H2,1-2H3
InChIKeyHJJIMCJBEKQRDY-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.26
Rot. Bonds8

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

1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol (PubChem CID 107264000) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
PubChem CID107264000
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCC(C(C)O)CC1
InChIInChI=1S/C14H29NO3/c1-3-4-9-18-11-14(17)10-15-7-5-13(6-8-15)12(2)16/h12-14,16-17H,3-11H2,1-2H3
InChIKeyHJJIMCJBEKQRDY-UHFFFAOYSA-N
XLogP1.26
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1-(3-butoxy-2-hydroxypropyl)piperidine-4-carbaldehyde
CID 107264386
1-butoxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16958263
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111116658
1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 112627641
1-(3-amino-4-methylpyrrolidin-1-yl)-3-butoxypropan-2-ol
CID 107264251
1-butoxy-3-[(3S)-3-methylpiperazin-1-yl]propan-2-ol
CID 107264245
1-(4-butan-2-ylpiperidin-1-yl)-3-ethoxypropan-2-ol
CID 126514523
1-butoxy-3-(1,1-dioxo-1,4-thiazepan-4-yl)propan-2-ol
CID 107271874

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol (CID 107264000) is 1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol is CCCCOCC(O)CN1CCC(C(C)O)CC1.
What is the InChIKey of 1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is HJJIMCJBEKQRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-4-9-18-11-14(17)10-15-7-5-13(6-8-15)12(2)16/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol?
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 107264000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).