1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol

C18H36N2O — CID 106837816

IUPAC1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CC2(CNC(C)(C)C)CCCC2)CC1
InChIInChI=1S/C18H36N2O/c1-15(21)16-7-11-20(12-8-16)14-18(9-5-6-10-18)13-19-17(2,3)4/h15-16,19,21H,5-14H2,1-4H3
InChIKeyUEVPJDGOXQCSDZ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.03
Rot. Bonds5

About 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol

1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol (PubChem CID 106837816) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
PubChem CID106837816
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol
SMILESCC(O)C1CCN(CC2(CNC(C)(C)C)CCCC2)CC1
InChIInChI=1S/C18H36N2O/c1-15(21)16-7-11-20(12-8-16)14-18(9-5-6-10-18)13-19-17(2,3)4/h15-16,19,21H,5-14H2,1-4H3
InChIKeyUEVPJDGOXQCSDZ-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

1-[1-[[1-(aminomethyl)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837787
1-[1-[[1-(sulfanylmethyl)cycloheptyl]methyl]piperidin-4-yl]ethanol
CID 106839754
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-3-yl]methanol
CID 62276274
1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967293
1-[1-[[1-(ethylaminomethyl)-4-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837777
1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967239
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 79183944
1-[1-[[1-(aminomethyl)-3-methylcyclohexyl]methyl]piperidin-4-yl]ethanol
CID 106837794
1-[1-[[4-(ethylaminomethyl)oxan-4-yl]methyl]piperidin-4-yl]ethanol
CID 106837791
N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63494206
[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]pyrrolidin-2-yl]methanol
CID 62260834
N-[[4-[(4-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62392730

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol (CID 106837816) is 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol is CC(O)C1CCN(CC2(CNC(C)(C)C)CCCC2)CC1.
What is the InChIKey of 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol?
The InChIKey is UEVPJDGOXQCSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-15(21)16-7-11-20(12-8-16)14-18(9-5-6-10-18)13-19-17(2,3)4/h15-16,19,21H,5-14H2,1-4H3.
What are the key properties of 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol?
1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol has a molecular weight of 296.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 106837816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).