1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol

C13H28N2O2 — CID 115474913

IUPAC1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCOC1CCN(CC(O)CNCC(C)C)CC1
InChIInChI=1S/C13H28N2O2/c1-11(2)8-14-9-12(16)10-15-6-4-13(17-3)5-7-15/h11-14,16H,4-10H2,1-3H3
InChIKeyMPYMFYZUEGMFCD-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.70
Rot. Bonds7

About 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol

1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 115474913) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
PubChem CID115474913
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
SMILESCOC1CCN(CC(O)CNCC(C)C)CC1
InChIInChI=1S/C13H28N2O2/c1-11(2)8-14-9-12(16)10-15-6-4-13(17-3)5-7-15/h11-14,16H,4-10H2,1-3H3
InChIKeyMPYMFYZUEGMFCD-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypyrrolidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 103532073
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
1-(2-methylpropylamino)-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 115475413
1-methoxy-3-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63929279
N-[2-(4-methoxypiperidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62420010
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62422628
(2S)-1-(4-methoxyazepan-1-yl)propan-2-ol
CID 164647914
3-methyl-1-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butan-2-ol
CID 114249996
1-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 63972481
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
2-[(4-methoxypiperidin-1-yl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 62264057
1-(3-methoxypyrrolidin-1-yl)pentan-2-ol
CID 103537643

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol (CID 115474913) is 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol is COC1CCN(CC(O)CNCC(C)C)CC1.
What is the InChIKey of 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is MPYMFYZUEGMFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-11(2)8-14-9-12(16)10-15-6-4-13(17-3)5-7-15/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol?
1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 115474913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).