(3R)-3-tert-butylpiperidine

C9H19N — CID 59772800

IUPAC(3R)-3-tert-butylpiperidine
SMILESCC(C)(C)[C@H]1CCCNC1
InChIInChI=1S/C9H19N/c1-9(2,3)8-5-4-6-10-7-8/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyVQMAMHGIVQPZIY-QMMMGPOBSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds

About (3R)-3-tert-butylpiperidine

(3R)-3-tert-butylpiperidine (PubChem CID 59772800) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (3R)-3-tert-butylpiperidine.

Molecular Properties

Compound Name(3R)-3-tert-butylpiperidine
PubChem CID59772800
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(3R)-3-tert-butylpiperidine
SMILESCC(C)(C)[C@H]1CCCNC1
InChIInChI=1S/C9H19N/c1-9(2,3)8-5-4-6-10-7-8/h8,10H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyVQMAMHGIVQPZIY-QMMMGPOBSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
2-piperidin-3-ylbutan-2-ol
CID 63586087
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
2-methyl-2-piperidin-3-ylpropan-1-ol
CID 83200214
5,5-dimethyl-2-piperidin-3-ylhexan-2-ol
CID 65146059
2-piperidin-3-ylpentan-2-ol
CID 63586269
tert-butylcyclobutane;bis(tert-butylcyclohexane);2-tert-butylpiperidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine
CID 164979916
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-hydroxy-2-piperidin-3-ylpropanenitrile
CID 173142831
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-(2-fluorobut-3-en-2-yl)piperidine
CID 112564785

Frequently Asked Questions

What is the IUPAC name of (3R)-3-tert-butylpiperidine?
The IUPAC name of (3R)-3-tert-butylpiperidine (CID 59772800) is (3R)-3-tert-butylpiperidine.
What is the SMILES notation for (3R)-3-tert-butylpiperidine?
The canonical SMILES for (3R)-3-tert-butylpiperidine is CC(C)(C)[C@H]1CCCNC1.
What is the InChIKey of (3R)-3-tert-butylpiperidine?
The InChIKey is VQMAMHGIVQPZIY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2,3)8-5-4-6-10-7-8/h8,10H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (3R)-3-tert-butylpiperidine?
(3R)-3-tert-butylpiperidine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-tert-butylpiperidine is sourced from PubChem (CID 59772800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).