(2R,4S)-4-tert-butyl-2-methylpiperidine

C10H21N — CID 13239018

IUPAC(2R,4S)-4-tert-butyl-2-methylpiperidine
SMILESC[C@@H]1C[C@@H](C(C)(C)C)CCN1
InChIInChI=1S/C10H21N/c1-8-7-9(5-6-11-8)10(2,3)4/h8-9,11H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyCDJJBDNOINTHLQ-BDAKNGLRSA-N
MW155.28 g/mol
LogP2.42
Rot. Bonds

About (2R,4S)-4-tert-butyl-2-methylpiperidine

(2R,4S)-4-tert-butyl-2-methylpiperidine (PubChem CID 13239018) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (2R,4S)-4-tert-butyl-2-methylpiperidine.

Molecular Properties

Compound Name(2R,4S)-4-tert-butyl-2-methylpiperidine
PubChem CID13239018
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(2R,4S)-4-tert-butyl-2-methylpiperidine
SMILESC[C@@H]1C[C@@H](C(C)(C)C)CCN1
InChIInChI=1S/C10H21N/c1-8-7-9(5-6-11-8)10(2,3)4/h8-9,11H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyCDJJBDNOINTHLQ-BDAKNGLRSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-tert-butyl-2-methylpiperidine?
The IUPAC name of (2R,4S)-4-tert-butyl-2-methylpiperidine (CID 13239018) is (2R,4S)-4-tert-butyl-2-methylpiperidine.
What is the SMILES notation for (2R,4S)-4-tert-butyl-2-methylpiperidine?
The canonical SMILES for (2R,4S)-4-tert-butyl-2-methylpiperidine is C[C@@H]1C[C@@H](C(C)(C)C)CCN1.
What is the InChIKey of (2R,4S)-4-tert-butyl-2-methylpiperidine?
The InChIKey is CDJJBDNOINTHLQ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21N/c1-8-7-9(5-6-11-8)10(2,3)4/h8-9,11H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2R,4S)-4-tert-butyl-2-methylpiperidine?
(2R,4S)-4-tert-butyl-2-methylpiperidine has a molecular weight of 155.28 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-tert-butyl-2-methylpiperidine is sourced from PubChem (CID 13239018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).