1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol

C12H26N2O2 — CID 63931055

IUPAC1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
SMILESCNC(C)C1CCCCN1CC(O)COC
InChIInChI=1S/C12H26N2O2/c1-10(13-2)12-6-4-5-7-14(12)8-11(15)9-16-3/h10-13,15H,4-9H2,1-3H3
InChIKeyMBYWZIDKPJEBMZ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.46
Rot. Bonds6

About 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol

1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol (PubChem CID 63931055) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
PubChem CID63931055
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
SMILESCNC(C)C1CCCCN1CC(O)COC
InChIInChI=1S/C12H26N2O2/c1-10(13-2)12-6-4-5-7-14(12)8-11(15)9-16-3/h10-13,15H,4-9H2,1-3H3
InChIKeyMBYWZIDKPJEBMZ-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxypropan-2-yloxy)-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 106988201
1-[1-(4-methoxybutyl)piperidin-2-yl]-N-methylethanamine
CID 104646713
1-[2-(1-hydroxyethyl)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111107375
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719
1-[2-[1-(propylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 63853660
1-[2-(2-hydroxypropyl)azepan-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106993188
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
6-[2-[1-(methylamino)ethyl]piperidin-1-yl]hexan-1-ol
CID 107701936
1-[2-(1-hydroxyethyl)-4-methylpiperidin-1-yl]-3-methoxypropan-2-ol
CID 167840500
N-methyl-1-(1-pentylpiperidin-2-yl)ethanamine
CID 63854669
1-[2-(2-aminoethyl)piperidin-1-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992593
N-methyl-2-[2-[1-(methylamino)ethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 63854674

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol (CID 63931055) is 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol is CNC(C)C1CCCCN1CC(O)COC.
What is the InChIKey of 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol?
The InChIKey is MBYWZIDKPJEBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(13-2)12-6-4-5-7-14(12)8-11(15)9-16-3/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol?
1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[2-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 63931055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).