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

C17H32N2O2 — CID 62390771

IUPAC2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H32N2O2/c20-10-6-16-3-1-2-9-19(16)14-17(7-11-21-12-8-17)13-18-15-4-5-15/h15-16,18,20H,1-14H2
InChIKeyYWZFWWMSLPRQEP-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.77
Rot. Bonds7

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

2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol (PubChem CID 62390771) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
PubChem CID62390771
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol
SMILESOCCC1CCCCN1CC1(CNC2CC2)CCOCC1
InChIInChI=1S/C17H32N2O2/c20-10-6-16-3-1-2-9-19(16)14-17(7-11-21-12-8-17)13-18-15-4-5-15/h15-16,18,20H,1-14H2
InChIKeyYWZFWWMSLPRQEP-UHFFFAOYSA-N
XLogP1.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]piperidin-2-yl]methanol
CID 62259143
N-[[4-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62889036
N-[[4-[(2-methylpyrrolidin-1-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62390400
[1-[[3-[(cyclopropylamino)methyl]oxan-3-yl]methyl]azepan-2-yl]methanol
CID 116638187
[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanol
CID 83062160
N-[[3-[(2-propylpiperidin-1-yl)methyl]oxan-3-yl]methyl]cyclopropanamine
CID 83045766
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114800136
N-methyl-1-[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methanamine
CID 83061995
[1-[[4-(hydroxymethyl)oxan-4-yl]methyl]azepan-2-yl]methanol
CID 116638263
2-[1-[[1-(bromomethyl)cyclobutyl]methyl]piperidin-2-yl]ethanol
CID 65009301
2-[4-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperazin-1-yl]ethanol
CID 62391797
N-[[4-[(2-propylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 83045767

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol (CID 62390771) is 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol is OCCC1CCCCN1CC1(CNC2CC2)CCOCC1.
What is the InChIKey of 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol?
The InChIKey is YWZFWWMSLPRQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c20-10-6-16-3-1-2-9-19(16)14-17(7-11-21-12-8-17)13-18-15-4-5-15/h15-16,18,20H,1-14H2.
What are the key properties of 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol?
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol has a molecular weight of 296.45 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 62390771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).