(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol

C11H24N2O — CID 104980416

IUPAC(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCC1CCCN(C)C1
InChIInChI=1S/C11H24N2O/c1-3-11(9-14)12-7-10-5-4-6-13(2)8-10/h10-12,14H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyCCXPWNOWAGBEAD-DTIOYNMSSA-N
MW200.33 g/mol
LogP0.69
Rot. Bonds5

About (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol

(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol (PubChem CID 104980416) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
PubChem CID104980416
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
SMILESCC[C@@H](CO)NCC1CCCN(C)C1
InChIInChI=1S/C11H24N2O/c1-3-11(9-14)12-7-10-5-4-6-13(2)8-10/h10-12,14H,3-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyCCXPWNOWAGBEAD-DTIOYNMSSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

2-[(1-methylpiperidin-3-yl)methylamino]-3-phenylpropan-1-ol
CID 55167281
N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 103096871
2-[(1-methylsulfonylpiperidin-3-yl)methylamino]propane-1,3-diol
CID 79609730
N'-hydroxy-2-[(1-methylpiperidin-3-yl)methylamino]butanimidamide
CID 77032015
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
1-cyclopropyl-N-[(1-methylpiperidin-3-yl)methyl]butan-1-amine
CID 115769979
N-[(1-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 62654881
3-(cycloheptylmethylamino)pentan-1-ol
CID 115685732
2-[(1-methylpyrrolidin-3-yl)methylamino]propan-1-ol
CID 130204020
1-chloro-N-[(1-methylsulfonylpiperidin-3-yl)methyl]butan-2-amine
CID 79622216
ethane;(1-methylpiperidin-3-yl)methanol
CID 142013659

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol?
The IUPAC name of (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol (CID 104980416) is (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol is CC[C@@H](CO)NCC1CCCN(C)C1.
What is the InChIKey of (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol?
The InChIKey is CCXPWNOWAGBEAD-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-11(9-14)12-7-10-5-4-6-13(2)8-10/h10-12,14H,3-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol?
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol is sourced from PubChem (CID 104980416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).