1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone

C12H24N2O2 — CID 79254180

IUPAC1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@H](CO)C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)12(8-15)13-11-4-6-14(7-5-11)10(3)16/h9,11-13,15H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyRRLNTKNQRNRARU-GFCCVEGCSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds4

About 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone

1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone (PubChem CID 79254180) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
PubChem CID79254180
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N[C@H](CO)C(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)12(8-15)13-11-4-6-14(7-5-11)10(3)16/h9,11-13,15H,4-8H2,1-3H3/t12-/m1/s1
InChIKeyRRLNTKNQRNRARU-GFCCVEGCSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxamide
CID 79253533
(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287
1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone
CID 115893969
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 43223288
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
CID 79253470
1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
CID 43745923
(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694
(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79742166
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
1-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]ethanone
CID 103859428
4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 43776407

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone (CID 79254180) is 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(N[C@H](CO)C(C)C)CC1.
What is the InChIKey of 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone?
The InChIKey is RRLNTKNQRNRARU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)12(8-15)13-11-4-6-14(7-5-11)10(3)16/h9,11-13,15H,4-8H2,1-3H3/t12-/m1/s1.
What are the key properties of 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone?
1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone has a molecular weight of 228.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 79254180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).