4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine

C15H29NO — CID 123478393

IUPAC4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine
SMILESCCC(C)COCCC1CC1C1CCNCC1
InChIInChI=1S/C15H29NO/c1-3-12(2)11-17-9-6-14-10-15(14)13-4-7-16-8-5-13/h12-16H,3-11H2,1-2H3
InChIKeyIXBABRCNMCCBEK-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.07
Rot. Bonds7

About 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine

4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine (PubChem CID 123478393) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine.

Molecular Properties

Compound Name4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine
PubChem CID123478393
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine
SMILESCCC(C)COCCC1CC1C1CCNCC1
InChIInChI=1S/C15H29NO/c1-3-12(2)11-17-9-6-14-10-15(14)13-4-7-16-8-5-13/h12-16H,3-11H2,1-2H3
InChIKeyIXBABRCNMCCBEK-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.07
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-((Oxan-3-yl)methyl)piperidine hydrochloride
CID 137951570
rac-(2R,4S)-4-methyl-2-(oxan-4-yl)piperidine
CID 165942131
4-[(Oxan-3-yl)methyl]piperidine
CID 83906766
3-Fluoro-3-(oxan-3-yl)piperidine
CID 107138241
3-[1-Fluoro-1-(oxan-3-yl)ethyl]piperidine
CID 107138248
3-Fluoro-3-(oxan-4-ylmethyl)piperidine
CID 112562818
3-[2-Fluoro-1-(oxan-4-yl)propan-2-yl]piperidine
CID 112564769
3-[2-Fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine
CID 112564774
3-[1-Fluoro-1-(oxan-4-yl)ethyl]piperidine
CID 112564826
3-[1-Fluoro-1-(oxolan-3-yl)ethyl]piperidine
CID 112564891
3-[2-Fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine
CID 112564958
3-[Fluoro(oxan-4-yl)methyl]piperidine
CID 112565356

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine?
The IUPAC name of 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine (CID 123478393) is 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine.
What is the SMILES notation for 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine?
The canonical SMILES for 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine is CCC(C)COCCC1CC1C1CCNCC1.
What is the InChIKey of 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine?
The InChIKey is IXBABRCNMCCBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-12(2)11-17-9-6-14-10-15(14)13-4-7-16-8-5-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine?
4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine has a molecular weight of 239.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-methylbutoxy)ethyl]cyclopropyl]piperidine is sourced from PubChem (CID 123478393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).