4-octyl-1-propan-2-ylpiperidine

C16H33N — CID 167231286

IUPAC4-octyl-1-propan-2-ylpiperidine
SMILESCCCCCCCCC1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-10-16-11-13-17(14-12-16)15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyXDDYCBLVHNHNCS-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.86
Rot. Bonds8

About 4-octyl-1-propan-2-ylpiperidine

4-octyl-1-propan-2-ylpiperidine (PubChem CID 167231286) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-octyl-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-octyl-1-propan-2-ylpiperidine
PubChem CID167231286
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-octyl-1-propan-2-ylpiperidine
SMILESCCCCCCCCC1CCN(C(C)C)CC1
InChIInChI=1S/C16H33N/c1-4-5-6-7-8-9-10-16-11-13-17(14-12-16)15(2)3/h15-16H,4-14H2,1-3H3
InChIKeyXDDYCBLVHNHNCS-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pentyl-1-propan-2-ylpyrrolidine
CID 145194112
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
4-(butoxymethyl)-1-propan-2-ylpiperidine
CID 176984206
azane;hexylcyclopropane
CID 135322230
4-pentylpiperidin-1-amine
CID 69326723
hexane;pentylcyclopropane
CID 159592467
1-benzhydryl-4-octylpiperidine;hydrobromide
CID 54609247
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
3-(1-propan-2-ylazepan-4-yl)propan-1-ol
CID 146561520

Frequently Asked Questions

What is the IUPAC name of 4-octyl-1-propan-2-ylpiperidine?
The IUPAC name of 4-octyl-1-propan-2-ylpiperidine (CID 167231286) is 4-octyl-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-octyl-1-propan-2-ylpiperidine?
The canonical SMILES for 4-octyl-1-propan-2-ylpiperidine is CCCCCCCCC1CCN(C(C)C)CC1.
What is the InChIKey of 4-octyl-1-propan-2-ylpiperidine?
The InChIKey is XDDYCBLVHNHNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-5-6-7-8-9-10-16-11-13-17(14-12-16)15(2)3/h15-16H,4-14H2,1-3H3.
What are the key properties of 4-octyl-1-propan-2-ylpiperidine?
4-octyl-1-propan-2-ylpiperidine has a molecular weight of 239.45 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-1-propan-2-ylpiperidine is sourced from PubChem (CID 167231286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).