1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone

C14H28N2O2 — CID 103707935

IUPAC1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
SMILESCCCC(CCO)CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H28N2O2/c1-3-4-13(7-10-17)11-15-14-5-8-16(9-6-14)12(2)18/h13-15,17H,3-11H2,1-2H3
InChIKeyXMHLCIOEVHBERA-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.39
Rot. Bonds7

About 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone

1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone (PubChem CID 103707935) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
PubChem CID103707935
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone
SMILESCCCC(CCO)CNC1CCN(C(C)=O)CC1
InChIInChI=1S/C14H28N2O2/c1-3-4-13(7-10-17)11-15-14-5-8-16(9-6-14)12(2)18/h13-15,17H,3-11H2,1-2H3
InChIKeyXMHLCIOEVHBERA-UHFFFAOYSA-N
XLogP1.39
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
2-[[(1-methylpiperidin-4-yl)amino]methyl]pentan-1-ol
CID 142846746
3-[(thietan-3-ylamino)methyl]hexan-1-ol
CID 135393035
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
3-[[(3-aminocyclopentyl)amino]methyl]hexan-1-ol
CID 106114664
3-[(thiolan-3-ylamino)methyl]hexan-1-ol
CID 115725378
3-[[(3-methylcyclohexyl)amino]methyl]hexan-1-ol
CID 115660374
ethyl 4-[(4-hydroxy-2-methylbutyl)amino]piperidine-1-carboxylate
CID 66089911
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502
3-[[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]methyl]hexan-1-ol
CID 103787444
3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile
CID 60665962
3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone (CID 103707935) is 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone is CCCC(CCO)CNC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone?
The InChIKey is XMHLCIOEVHBERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-4-13(7-10-17)11-15-14-5-8-16(9-6-14)12(2)18/h13-15,17H,3-11H2,1-2H3.
What are the key properties of 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone?
1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-hydroxyethyl)pentylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 103707935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).