(3S)-3-tert-butyl-1-methylpiperidine

C10H21N — CID 129190972

IUPAC(3S)-3-tert-butyl-1-methylpiperidine
SMILESCN1CCC[C@@H](C(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-10(2,3)9-6-5-7-11(4)8-9/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyMZIPYUYGZUBEAA-SECBINFHSA-N
MW155.28 g/mol
LogP2.37
Rot. Bonds

About (3S)-3-tert-butyl-1-methylpiperidine

(3S)-3-tert-butyl-1-methylpiperidine (PubChem CID 129190972) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (3S)-3-tert-butyl-1-methylpiperidine.

Molecular Properties

Compound Name(3S)-3-tert-butyl-1-methylpiperidine
PubChem CID129190972
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(3S)-3-tert-butyl-1-methylpiperidine
SMILESCN1CCC[C@@H](C(C)(C)C)C1
InChIInChI=1S/C10H21N/c1-10(2,3)9-6-5-7-11(4)8-9/h9H,5-8H2,1-4H3/t9-/m1/s1
InChIKeyMZIPYUYGZUBEAA-SECBINFHSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-tert-butyl-1-methylpiperidine?
The IUPAC name of (3S)-3-tert-butyl-1-methylpiperidine (CID 129190972) is (3S)-3-tert-butyl-1-methylpiperidine.
What is the SMILES notation for (3S)-3-tert-butyl-1-methylpiperidine?
The canonical SMILES for (3S)-3-tert-butyl-1-methylpiperidine is CN1CCC[C@@H](C(C)(C)C)C1.
What is the InChIKey of (3S)-3-tert-butyl-1-methylpiperidine?
The InChIKey is MZIPYUYGZUBEAA-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N/c1-10(2,3)9-6-5-7-11(4)8-9/h9H,5-8H2,1-4H3/t9-/m1/s1.
What are the key properties of (3S)-3-tert-butyl-1-methylpiperidine?
(3S)-3-tert-butyl-1-methylpiperidine has a molecular weight of 155.28 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-tert-butyl-1-methylpiperidine is sourced from PubChem (CID 129190972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).