4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol

C12H26N2O2 — CID 106157163

IUPAC4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol
SMILESCOCC(CCO)NCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-14-6-3-11(4-7-14)9-13-12(5-8-15)10-16-2/h11-13,15H,3-10H2,1-2H3
InChIKeyBRGAAYKWNIKRJL-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.32
Rot. Bonds7

About 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol

4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol (PubChem CID 106157163) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol
PubChem CID106157163
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol
SMILESCOCC(CCO)NCC1CCN(C)CC1
InChIInChI=1S/C12H26N2O2/c1-14-6-3-11(4-7-14)9-13-12(5-8-15)10-16-2/h11-13,15H,3-10H2,1-2H3
InChIKeyBRGAAYKWNIKRJL-UHFFFAOYSA-N
XLogP0.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]piperidine-1-carboxylate
CID 103765978
4-methoxy-3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83819615
3-methoxy-2-methyl-N-[(1-methylpiperidin-4-yl)methyl]propan-1-amine
CID 62657183
4-methoxy-3-(piperidin-2-ylmethylamino)butan-1-ol
CID 106156720
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
CID 103464163
N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 103096871
3-(cycloheptylmethylamino)pentan-1-ol
CID 115685732
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methoxybutan-1-ol
CID 106159943
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-morpholin-4-ylethanone
CID 106159597

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol (CID 106157163) is 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol is COCC(CCO)NCC1CCN(C)CC1.
What is the InChIKey of 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol?
The InChIKey is BRGAAYKWNIKRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-14-6-3-11(4-7-14)9-13-12(5-8-15)10-16-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol?
4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(1-methylpiperidin-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 106157163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).