(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol

C11H24N2O — CID 79253287

IUPAC(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCN(C)CC1
InChIInChI=1S/C11H24N2O/c1-9(2)11(8-14)12-10-4-6-13(3)7-5-10/h9-12,14H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyAEZQHPGRCRINOQ-LLVKDONJSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds4

About (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol

(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol (PubChem CID 79253287) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
PubChem CID79253287
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
SMILESCC(C)[C@@H](CO)NC1CCN(C)CC1
InChIInChI=1S/C11H24N2O/c1-9(2)11(8-14)12-10-4-6-13(3)7-5-10/h9-12,14H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyAEZQHPGRCRINOQ-LLVKDONJSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
CID 79254180
4-[(1-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxamide
CID 79253533
N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine
CID 65047718
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
CID 79253470
(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694
2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 154950670
N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
CID 65075295
(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79742166
1-methyl-N-(4-methylheptan-3-yl)piperidin-4-amine
CID 115707671
3-methyl-2-(oxepan-4-ylamino)butan-1-ol
CID 79254168
3-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]butan-1-ol
CID 115137561
2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol
CID 80562093

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol (CID 79253287) is (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol is CC(C)[C@@H](CO)NC1CCN(C)CC1.
What is the InChIKey of (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol?
The InChIKey is AEZQHPGRCRINOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)11(8-14)12-10-4-6-13(3)7-5-10/h9-12,14H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol?
(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 79253287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).