4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol

C13H28N2O2 — CID 64796609

IUPAC4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCOC1CCN(CCC(CO)NC(C)C)CC1
InChIInChI=1S/C13H28N2O2/c1-11(2)14-12(10-16)4-7-15-8-5-13(17-3)6-9-15/h11-14,16H,4-10H2,1-3H3
InChIKeyBWURQGLLOSOPQG-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds7

About 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol

4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64796609) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64796609
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCOC1CCN(CCC(CO)NC(C)C)CC1
InChIInChI=1S/C13H28N2O2/c1-11(2)14-12(10-16)4-7-15-8-5-13(17-3)6-9-15/h11-14,16H,4-10H2,1-3H3
InChIKeyBWURQGLLOSOPQG-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-4-(4-propan-2-ylpiperidin-1-yl)butan-1-ol
CID 103504030
2-(propan-2-ylamino)-4-(4-propan-2-ylazepan-1-yl)butan-1-ol
CID 64828249
4-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64826874
3-(3-methoxypiperidin-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 102968981
ethane;4-methoxy-1-(3-methylbutyl)piperidine
CID 155574416
4-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(propan-2-ylamino)butan-1-ol
CID 114083823
4-(4-phenylpiperazin-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64791800
3-[4-(methoxymethyl)piperidin-1-yl]-2-(propan-2-ylamino)propan-1-ol
CID 64791193
2-(propan-2-ylamino)-4-(2,2,6,6-tetramethylmorpholin-4-yl)butan-1-ol
CID 102746406
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 102968904
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64826674
2-[1-(1-ethylpiperidin-4-yl)ethylamino]-4-methoxybutan-1-ol
CID 114210339

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol (CID 64796609) is 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol is COC1CCN(CCC(CO)NC(C)C)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is BWURQGLLOSOPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)14-12(10-16)4-7-15-8-5-13(17-3)6-9-15/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64796609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).