1-hexan-2-yl-4-propan-2-ylpiperidine

C14H29N — CID 67564256

IUPAC1-hexan-2-yl-4-propan-2-ylpiperidine
SMILESCCCCC(C)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H29N/c1-5-6-7-13(4)15-10-8-14(9-11-15)12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyGPHGDFURFGCENK-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds5

About 1-hexan-2-yl-4-propan-2-ylpiperidine

1-hexan-2-yl-4-propan-2-ylpiperidine (PubChem CID 67564256) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-hexan-2-yl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-hexan-2-yl-4-propan-2-ylpiperidine
PubChem CID67564256
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-hexan-2-yl-4-propan-2-ylpiperidine
SMILESCCCCC(C)N1CCC(C(C)C)CC1
InChIInChI=1S/C14H29N/c1-5-6-7-13(4)15-10-8-14(9-11-15)12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyGPHGDFURFGCENK-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-hexan-2-ylpiperidine-4-carboxamide
CID 144857374
4-[(2S)-hexan-2-yl]morpholine
CID 124506548
1-dodecan-2-ylpyrrolidine
CID 70871228
1-hexan-2-yl-1,5-diazocane
CID 62200653
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
N-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103503231
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)hexanoate
CID 112698247
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
1-(4-propan-2-ylpiperidin-1-yl)hexan-2-amine
CID 103497519
1-heptan-2-ylpiperazine
CID 61464712
1,4-di(propan-2-yl)piperidine
CID 21303253
1-butan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 170586069

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-yl-4-propan-2-ylpiperidine?
The IUPAC name of 1-hexan-2-yl-4-propan-2-ylpiperidine (CID 67564256) is 1-hexan-2-yl-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-hexan-2-yl-4-propan-2-ylpiperidine?
The canonical SMILES for 1-hexan-2-yl-4-propan-2-ylpiperidine is CCCCC(C)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-hexan-2-yl-4-propan-2-ylpiperidine?
The InChIKey is GPHGDFURFGCENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-6-7-13(4)15-10-8-14(9-11-15)12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-hexan-2-yl-4-propan-2-ylpiperidine?
1-hexan-2-yl-4-propan-2-ylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-yl-4-propan-2-ylpiperidine is sourced from PubChem (CID 67564256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).