1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol

C15H30N2O3 — CID 106993034

IUPAC1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCCCC1CNC1CC1
InChIInChI=1S/C15H30N2O3/c1-19-8-9-20-12-15(18)11-17-7-3-2-4-14(17)10-16-13-5-6-13/h13-16,18H,2-12H2,1H3
InChIKeyZLXGFNALPQMBCM-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.62
Rot. Bonds10

About 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol

1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106993034) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106993034
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CN1CCCCC1CNC1CC1
InChIInChI=1S/C15H30N2O3/c1-19-8-9-20-12-15(18)11-17-7-3-2-4-14(17)10-16-13-5-6-13/h13-16,18H,2-12H2,1H3
InChIKeyZLXGFNALPQMBCM-UHFFFAOYSA-N
XLogP0.62
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
CID 63932604
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
2-[1-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperidin-2-yl]acetic acid
CID 106991388
1-(2-ethylpyrrolidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991786
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
1-(2,4-dimethylpiperidin-1-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106991982
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150
1-(2-ethylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991719

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol (CID 106993034) is 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CN1CCCCC1CNC1CC1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is ZLXGFNALPQMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-19-8-9-20-12-15(18)11-17-7-3-2-4-14(17)10-16-13-5-6-13/h13-16,18H,2-12H2,1H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol?
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 286.42 g/mol, XLogP of 0.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106993034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).