3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol

C15H28N2O3 — CID 154743736

IUPAC3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol
SMILESOC1CCCC1N1CCN(CC2(O)CCCOC2)CC1
InChIInChI=1S/C15H28N2O3/c18-14-4-1-3-13(14)17-8-6-16(7-9-17)11-15(19)5-2-10-20-12-15/h13-14,18-19H,1-12H2
InChIKeyNCVWEUKJEJOFRE-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.06
Rot. Bonds3

About 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol

3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol (PubChem CID 154743736) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol.

Molecular Properties

Compound Name3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol
PubChem CID154743736
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol
SMILESOC1CCCC1N1CCN(CC2(O)CCCOC2)CC1
InChIInChI=1S/C15H28N2O3/c18-14-4-1-3-13(14)17-8-6-16(7-9-17)11-15(19)5-2-10-20-12-15/h13-14,18-19H,1-12H2
InChIKeyNCVWEUKJEJOFRE-UHFFFAOYSA-N
XLogP0.06
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol with MolForge

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Related Compounds

3-(pyrrolidin-1-ylmethyl)oxan-3-ol
CID 84732714
3-[[4,7-bis[(3-hydroxy-1,5-dioxocan-3-yl)methyl]-1,4,7-triazonan-1-yl]methyl]-1,5-dioxocan-3-ol
CID 18740667
trans-(1S,2S)-2-(4-ethylpiperazin-1-yl)cyclopentan-1-ol
CID 102734329
3-[[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]oxan-3-ol
CID 126889548
2-[2-[4-[(3-hydroxyoxan-3-yl)methyl]piperazin-1-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126915128
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 126846526
2-[[1-[(3-hydroxyoxan-3-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126864206
3-[[4-[4-(cyclopropylmethoxy)quinazolin-6-yl]piperazin-1-yl]methyl]oxan-3-ol
CID 126896397
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]oxan-3-ol
CID 126901590
1-[(4-cyclopropylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 63631721
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol?
The IUPAC name of 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol (CID 154743736) is 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol.
What is the SMILES notation for 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol?
The canonical SMILES for 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol is OC1CCCC1N1CCN(CC2(O)CCCOC2)CC1.
What is the InChIKey of 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol?
The InChIKey is NCVWEUKJEJOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c18-14-4-1-3-13(14)17-8-6-16(7-9-17)11-15(19)5-2-10-20-12-15/h13-14,18-19H,1-12H2.
What are the key properties of 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol?
3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol has a molecular weight of 284.40 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxycyclopentyl)piperazin-1-yl]methyl]oxan-3-ol is sourced from PubChem (CID 154743736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).