4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine

C15H31NO — CID 166128107

IUPAC4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
SMILESCCC(C)C1CCN(CCCOC(C)C)CC1
InChIInChI=1S/C15H31NO/c1-5-14(4)15-7-10-16(11-8-15)9-6-12-17-13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyBEJMXHBXRJMCDF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.56
Rot. Bonds7

About 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine

4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine (PubChem CID 166128107) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine.

Molecular Properties

Compound Name4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
PubChem CID166128107
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
SMILESCCC(C)C1CCN(CCCOC(C)C)CC1
InChIInChI=1S/C15H31NO/c1-5-14(4)15-7-10-16(11-8-15)9-6-12-17-13(2)3/h13-15H,5-12H2,1-4H3
InChIKeyBEJMXHBXRJMCDF-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-1-[3-[(1-propan-2-ylpiperidin-4-yl)methoxy]propyl]piperidine
CID 176983225
1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
1-(4-methylpentyl)-4-(3-propan-2-yloxypropyl)piperidine
CID 170372323
4-bromo-1-(2-propan-2-yloxyethyl)piperidine
CID 80679344
(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
CID 39221513
N-[2-(4-methylpiperidin-1-yl)ethyl]-3-propan-2-yloxypropan-1-amine
CID 62575890
potassium [4-(3-propan-2-yloxypropyl)piperazin-1-yl]methanone
CID 167519739
1-(4-methylpentyl)-4-[2-(5-propan-2-yloxypentoxy)ethyl]piperidine
CID 154992758
4-(5-methoxypentan-2-yl)-1-pentadecylpiperidine
CID 58623460
1-ethyl-4-[2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethyl]piperazine
CID 170364246
N-methyl-1-(2-propan-2-yloxyethyl)piperidin-4-amine;hydrochloride
CID 119923511

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine?
The IUPAC name of 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine (CID 166128107) is 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine.
What is the SMILES notation for 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine?
The canonical SMILES for 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine is CCC(C)C1CCN(CCCOC(C)C)CC1.
What is the InChIKey of 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine?
The InChIKey is BEJMXHBXRJMCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-14(4)15-7-10-16(11-8-15)9-6-12-17-13(2)3/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine?
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine has a molecular weight of 241.42 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine is sourced from PubChem (CID 166128107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).