4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol

C12H26N2O2 — CID 102968904

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CCC(C)C(OC)C1
InChIInChI=1S/C12H26N2O2/c1-10-4-6-14(8-12(10)16-3)7-5-11(9-15)13-2/h10-13,15H,4-9H2,1-3H3
InChIKeyLRNYCNZHGIIYBY-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.31
Rot. Bonds6

About 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol

4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol (PubChem CID 102968904) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
PubChem CID102968904
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CCC(C)C(OC)C1
InChIInChI=1S/C12H26N2O2/c1-10-4-6-14(8-12(10)16-3)7-5-11(9-15)13-2/h10-13,15H,4-9H2,1-3H3
InChIKeyLRNYCNZHGIIYBY-UHFFFAOYSA-N
XLogP0.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
CID 102963478
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64789833
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
CID 64791699
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115
2-(methylamino)-4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-ol
CID 64826674
N-(2-methoxyethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102963614
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol (CID 102968904) is 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol is CNC(CO)CCN1CCC(C)C(OC)C1.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol?
The InChIKey is LRNYCNZHGIIYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10-4-6-14(8-12(10)16-3)7-5-11(9-15)13-2/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol?
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol has a molecular weight of 230.35 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 102968904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).