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

C14H28N2O2 — CID 63932604

IUPAC1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CCCCC1CNC1CC1
InChIInChI=1S/C14H28N2O2/c1-2-18-11-14(17)10-16-8-4-3-5-13(16)9-15-12-6-7-12/h12-15,17H,2-11H2,1H3
InChIKeyFGMIJVAZEWMDMO-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.99
Rot. Bonds8

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

1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol (PubChem CID 63932604) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
PubChem CID63932604
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol
SMILESCCOCC(O)CN1CCCCC1CNC1CC1
InChIInChI=1S/C14H28N2O2/c1-2-18-11-14(17)10-16-8-4-3-5-13(16)9-15-12-6-7-12/h12-15,17H,2-11H2,1H3
InChIKeyFGMIJVAZEWMDMO-UHFFFAOYSA-N
XLogP0.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993034
1-ethoxy-3-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 115316928
1-ethoxy-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 63932738
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-ethoxypropan-2-ol
CID 63931720
1-[2-(ethylaminomethyl)piperidin-1-yl]-3-(2-methoxyethoxy)propan-2-ol
CID 106993028
2-[1-(3-ethoxy-2-hydroxypropyl)pyrrolidin-2-yl]acetic acid
CID 63933195
N-[[1-(cyclopropylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62580411
1-butoxy-3-(2-ethylazepan-1-yl)propan-2-ol
CID 107263966
(2S)-1-ethoxy-3-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 97329734
(2R)-1-ethoxy-3-[(2S)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 124856114
N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]cyclopentanamine
CID 103852150

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol (CID 63932604) is 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol is CCOCC(O)CN1CCCCC1CNC1CC1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol?
The InChIKey is FGMIJVAZEWMDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-18-11-14(17)10-16-8-4-3-5-13(16)9-15-12-6-7-12/h12-15,17H,2-11H2,1H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol?
1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-3-ethoxypropan-2-ol is sourced from PubChem (CID 63932604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).