1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine

C14H28N2O — CID 54957761

IUPAC1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
SMILESCC(C)OCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H28N2O/c1-12(2)17-10-9-16-8-4-5-13(11-16)14-6-3-7-15-14/h12-15H,3-11H2,1-2H3
InChIKeyPBVWASQNAFCTCM-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds5

About 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine

1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 54957761) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID54957761
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
SMILESCC(C)OCCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H28N2O/c1-12(2)17-10-9-16-8-4-5-13(11-16)14-6-3-7-15-14/h12-15H,3-11H2,1-2H3
InChIKeyPBVWASQNAFCTCM-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpentyl)-3-pyrrolidin-2-ylpiperidine
CID 83158375
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
CID 112703556
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429
3-ethyl-1-(2-propan-2-yloxyethyl)-1,4-diazepane
CID 64871501
6-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 104563880
1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978976
1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine
CID 60978303
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978835
3-cyclohexyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64872103
1-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978832

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine (CID 54957761) is 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine is CC(C)OCCN1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is PBVWASQNAFCTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)17-10-9-16-8-4-5-13(11-16)14-6-3-7-15-14/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine?
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 240.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 54957761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).