2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol

C16H31N3O2 — CID 62391797

IUPAC2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2(CNC3CC3)CCOCC2)CC1
InChIInChI=1S/C16H31N3O2/c20-10-9-18-5-7-19(8-6-18)14-16(3-11-21-12-4-16)13-17-15-1-2-15/h15,17,20H,1-14H2
InChIKeyZCIHRUQVAPOJEV-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.15
Rot. Bonds7

About 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 62391797) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol
PubChem CID62391797
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2(CNC3CC3)CCOCC2)CC1
InChIInChI=1S/C16H31N3O2/c20-10-9-18-5-7-19(8-6-18)14-16(3-11-21-12-4-16)13-17-15-1-2-15/h15,17,20H,1-14H2
InChIKeyZCIHRUQVAPOJEV-UHFFFAOYSA-N
XLogP0.15
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

N-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62931491
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114800136
1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674198
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
CID 62390771
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62392837
N-[[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 62262140
N-[[3-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-3-yl]methyl]cyclopropanamine
CID 63159777
N-[[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391826
(3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine
CID 125444142
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390400
8-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770155
N-[[4-(oxan-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62907143

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol (CID 62391797) is 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol is OCCN1CCN(CC2(CNC3CC3)CCOCC2)CC1.
What is the InChIKey of 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is ZCIHRUQVAPOJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c20-10-9-18-5-7-19(8-6-18)14-16(3-11-21-12-4-16)13-17-15-1-2-15/h15,17,20H,1-14H2.
What are the key properties of 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 297.44 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 62391797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).