(2S)-2-(3-methylbutyl)piperidine

C10H21N — CID 94379266

IUPAC(2S)-2-(3-methylbutyl)piperidine
SMILESCC(C)CC[C@@H]1CCCCN1
InChIInChI=1S/C10H21N/c1-9(2)6-7-10-5-3-4-8-11-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyXUXJCYKPWWUNNV-JTQLQIEISA-N
MW155.28 g/mol
LogP2.56
Rot. Bonds3

About (2S)-2-(3-methylbutyl)piperidine

(2S)-2-(3-methylbutyl)piperidine (PubChem CID 94379266) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2S)-2-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(3-methylbutyl)piperidine
PubChem CID94379266
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2S)-2-(3-methylbutyl)piperidine
SMILESCC(C)CC[C@@H]1CCCCN1
InChIInChI=1S/C10H21N/c1-9(2)6-7-10-5-3-4-8-11-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyXUXJCYKPWWUNNV-JTQLQIEISA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
N-methyl-4-piperidin-2-ylbutan-2-amine
CID 84653921
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butan-1-amine
CID 61429136
2-(3-methylbutyl)-1,4-diazepane
CID 175901768
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2S)-2-(2-propan-2-yloxyethyl)piperidine
CID 28802472
azane;2-propylpiperidine
CID 156844924
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide
CID 63855870
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664
1-(2-methylpropyl)-4-(2-piperidin-2-ylethyl)piperazine
CID 62777599

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbutyl)piperidine?
The IUPAC name of (2S)-2-(3-methylbutyl)piperidine (CID 94379266) is (2S)-2-(3-methylbutyl)piperidine.
What is the SMILES notation for (2S)-2-(3-methylbutyl)piperidine?
The canonical SMILES for (2S)-2-(3-methylbutyl)piperidine is CC(C)CC[C@@H]1CCCCN1.
What is the InChIKey of (2S)-2-(3-methylbutyl)piperidine?
The InChIKey is XUXJCYKPWWUNNV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)6-7-10-5-3-4-8-11-10/h9-11H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3-methylbutyl)piperidine?
(2S)-2-(3-methylbutyl)piperidine has a molecular weight of 155.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbutyl)piperidine is sourced from PubChem (CID 94379266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).