4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine

C14H29N — CID 71102045

IUPAC4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine
SMILESCCCN1CCC([C@@H](C)C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-6-9-15-10-7-13(8-11-15)12(2)14(3,4)5/h12-13H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyPTLGFJFDNYLFBX-GFCCVEGCSA-N
MW211.39 g/mol
LogP3.79
Rot. Bonds3

About 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine

4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine (PubChem CID 71102045) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine.

Molecular Properties

Compound Name4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine
PubChem CID71102045
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine
SMILESCCCN1CCC([C@@H](C)C(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-6-9-15-10-7-13(8-11-15)12(2)14(3,4)5/h12-13H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyPTLGFJFDNYLFBX-GFCCVEGCSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine?
The IUPAC name of 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine (CID 71102045) is 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine.
What is the SMILES notation for 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine?
The canonical SMILES for 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine is CCCN1CCC([C@@H](C)C(C)(C)C)CC1.
What is the InChIKey of 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine?
The InChIKey is PTLGFJFDNYLFBX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29N/c1-6-9-15-10-7-13(8-11-15)12(2)14(3,4)5/h12-13H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine?
4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine is sourced from PubChem (CID 71102045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).