1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine

C17H33N3 — CID 60978303

IUPAC1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine
SMILESCN1CCCCC1CCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C17H33N3/c1-19-11-3-2-7-16(19)9-13-20-12-5-6-15(14-20)17-8-4-10-18-17/h15-18H,2-14H2,1H3
InChIKeyQNPFZAQSLAIOPY-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds4

About 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine

1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine (PubChem CID 60978303) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine
PubChem CID60978303
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine
SMILESCN1CCCCC1CCN1CCCC(C2CCCN2)C1
InChIInChI=1S/C17H33N3/c1-19-11-3-2-7-16(19)9-13-20-12-5-6-15(14-20)17-8-4-10-18-17/h15-18H,2-14H2,1H3
InChIKeyQNPFZAQSLAIOPY-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4aS,7aS)-6-[2-(1-methylpiperidin-2-yl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102682676
1-(4-methylpentyl)-3-pyrrolidin-2-ylpiperidine
CID 83158375
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
1-(3,3-dimethylbutyl)-3-pyrrolidin-2-ylpiperidine
CID 54885429
1-(4-methoxybutyl)-3-pyrrolidin-2-ylpiperidine
CID 112703556
1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-ol
CID 60689916
1-[2-(oxolan-2-yl)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 65162427
1-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpiperidine
CID 54957761
(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 118759759
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrolidin-3-ol
CID 62917003
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]ethanamine
CID 107910860

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine?
The IUPAC name of 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine (CID 60978303) is 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine?
The canonical SMILES for 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine is CN1CCCCC1CCN1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine?
The InChIKey is QNPFZAQSLAIOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-19-11-3-2-7-16(19)9-13-20-12-5-6-15(14-20)17-8-4-10-18-17/h15-18H,2-14H2,1H3.
What are the key properties of 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine?
1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(3-pyrrolidin-2-ylpiperidin-1-yl)ethyl]piperidine is sourced from PubChem (CID 60978303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).