1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine

C14H28N2O — CID 166567506

IUPAC1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
SMILESCOC1CCN([C@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)16-10-5-12(11-16)15-8-6-13(17-4)7-9-15/h12-13H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyJIVLPAVVKIBQHC-LBPRGKRZSA-N
MW240.39 g/mol
LogP1.97
Rot. Bonds2

About 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine

1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine (PubChem CID 166567506) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
PubChem CID166567506
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
SMILESCOC1CCN([C@H]2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)16-10-5-12(11-16)15-8-6-13(17-4)7-9-15/h12-13H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyJIVLPAVVKIBQHC-LBPRGKRZSA-N
XLogP1.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine?
The IUPAC name of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine (CID 166567506) is 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine.
What is the SMILES notation for 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine?
The canonical SMILES for 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine is COC1CCN([C@H]2CCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine?
The InChIKey is JIVLPAVVKIBQHC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)16-10-5-12(11-16)15-8-6-13(17-4)7-9-15/h12-13H,5-11H2,1-4H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine?
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine has a molecular weight of 240.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine is sourced from PubChem (CID 166567506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).