1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine

C14H29N — CID 135173969

IUPAC1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-12(2)13-6-9-15(10-7-13)11-8-14(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyBBTUVDWZXWJZSD-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.79
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine

1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine (PubChem CID 135173969) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
PubChem CID135173969
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(CCC(C)(C)C)CC1
InChIInChI=1S/C14H29N/c1-12(2)13-6-9-15(10-7-13)11-8-14(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyBBTUVDWZXWJZSD-UHFFFAOYSA-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 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine (CID 135173969) is 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(CCC(C)(C)C)CC1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine?
The InChIKey is BBTUVDWZXWJZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-12(2)13-6-9-15(10-7-13)11-8-14(3,4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine?
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine 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 1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 135173969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).