4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine

C12H25NO — CID 10821871

IUPAC4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
SMILESCC(C)(C)OCCCC1CCNCC1
InChIInChI=1S/C12H25NO/c1-12(2,3)14-10-4-5-11-6-8-13-9-7-11/h11,13H,4-10H2,1-3H3
InChIKeyRMQYXBGJWZKNMA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds4

About 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine

4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine (PubChem CID 10821871) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine.

Molecular Properties

Compound Name4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
PubChem CID10821871
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine
SMILESCC(C)(C)OCCCC1CCNCC1
InChIInChI=1S/C12H25NO/c1-12(2,3)14-10-4-5-11-6-8-13-9-7-11/h11,13H,4-10H2,1-3H3
InChIKeyRMQYXBGJWZKNMA-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
CID 144530470
piperazine;4-(3-piperidin-4-ylpropyl)piperidine
CID 143744833
4-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidin-3-yl]methyl]piperidine
CID 166004662
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
4-hexadecylpiperidine
CID 54096875
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]azetidine
CID 112592567
trimethoxy(3-piperidin-4-ylpropyl)silane
CID 68866239
4-heptylpiperidine;methane
CID 144690559
4-butylpiperidine;formonitrile
CID 142168007
3-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114451772
4-(3-fluoro-3-methylbutyl)piperidine
CID 83816497
3-(4,4-dimethylpentyl)pyrrolidine
CID 59630397

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
The IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine (CID 10821871) is 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine.
What is the SMILES notation for 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
The canonical SMILES for 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine is CC(C)(C)OCCCC1CCNCC1.
What is the InChIKey of 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
The InChIKey is RMQYXBGJWZKNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)14-10-4-5-11-6-8-13-9-7-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine?
4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine is sourced from PubChem (CID 10821871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).