2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol

C11H24N2O — CID 66565655

IUPAC2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)[C@H]1CCCN(C)C1
InChIInChI=1S/C11H24N2O/c1-10(2)13(7-8-14)11-5-4-6-12(3)9-11/h10-11,14H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyOJEXMPXWAAGCRO-NSHDSACASA-N
MW200.33 g/mol
LogP0.78
Rot. Bonds4

About 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol

2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol (PubChem CID 66565655) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol
PubChem CID66565655
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)[C@H]1CCCN(C)C1
InChIInChI=1S/C11H24N2O/c1-10(2)13(7-8-14)11-5-4-6-12(3)9-11/h10-11,14H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyOJEXMPXWAAGCRO-NSHDSACASA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]acetic acid
CID 66565594
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
2-chloro-N-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide
CID 66565766
benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564317
N'-(1-methylpiperidin-3-yl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 83821361
N-methyl-N-(1-methylpiperidin-3-yl)propane-2-sulfonamide
CID 64586876
N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 62547703
1-[cyclohexyl(2-hydroxyethyl)amino]ethanol
CID 174488564
ethane;N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutanamine;propane;hydrate
CID 171564870
2-[cyclohexyl(pentan-2-yl)amino]ethanol
CID 107886016
2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62900097

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol (CID 66565655) is 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol is CC(C)N(CCO)[C@H]1CCCN(C)C1.
What is the InChIKey of 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol?
The InChIKey is OJEXMPXWAAGCRO-NSHDSACASA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(2)13(7-8-14)11-5-4-6-12(3)9-11/h10-11,14H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol?
2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol has a molecular weight of 200.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-1-methylpiperidin-3-yl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 66565655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).