4-methyl-4-(3-propylazetidin-1-yl)piperidine

C12H24N2 — CID 114697487

IUPAC4-methyl-4-(3-propylazetidin-1-yl)piperidine
SMILESCCCC1CN(C2(C)CCNCC2)C1
InChIInChI=1S/C12H24N2/c1-3-4-11-9-14(10-11)12(2)5-7-13-8-6-12/h11,13H,3-10H2,1-2H3
InChIKeyGIUYHJIBDYYWJR-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds3

About 4-methyl-4-(3-propylazetidin-1-yl)piperidine

4-methyl-4-(3-propylazetidin-1-yl)piperidine (PubChem CID 114697487) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-methyl-4-(3-propylazetidin-1-yl)piperidine.

Molecular Properties

Compound Name4-methyl-4-(3-propylazetidin-1-yl)piperidine
PubChem CID114697487
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-methyl-4-(3-propylazetidin-1-yl)piperidine
SMILESCCCC1CN(C2(C)CCNCC2)C1
InChIInChI=1S/C12H24N2/c1-3-4-11-9-14(10-11)12(2)5-7-13-8-6-12/h11,13H,3-10H2,1-2H3
InChIKeyGIUYHJIBDYYWJR-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-propyl-8-azaspiro[4.5]decane
CID 177021329
5-(4-methylpiperidin-4-yl)-5-azaspiro[2.3]hexane
CID 114697565
4-(methoxymethyl)-4-[(3-propylpyrrolidin-1-yl)methyl]piperidine
CID 114042162
ethane;4-propylpiperidine
CID 142071399
3-(3-propylazetidin-1-yl)oxolane-3-carboxylic acid
CID 79695639
4-methyl-N-(4-propylcyclohexyl)piperidine-4-carboxamide
CID 63122402
4-[(3-ethylazetidin-1-yl)methyl]piperidin-4-ol
CID 131146550
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-4-methylpiperidine
CID 79180872
carbon dioxide;4-propylpiperidine
CID 162153913
3-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122767
methyl 1-piperazin-1-yl-4-propylcyclohexane-1-carboxylate
CID 54895216
4,4-difluoro-5-propylazepane
CID 84656071

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-propylazetidin-1-yl)piperidine?
The IUPAC name of 4-methyl-4-(3-propylazetidin-1-yl)piperidine (CID 114697487) is 4-methyl-4-(3-propylazetidin-1-yl)piperidine.
What is the SMILES notation for 4-methyl-4-(3-propylazetidin-1-yl)piperidine?
The canonical SMILES for 4-methyl-4-(3-propylazetidin-1-yl)piperidine is CCCC1CN(C2(C)CCNCC2)C1.
What is the InChIKey of 4-methyl-4-(3-propylazetidin-1-yl)piperidine?
The InChIKey is GIUYHJIBDYYWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-4-11-9-14(10-11)12(2)5-7-13-8-6-12/h11,13H,3-10H2,1-2H3.
What are the key properties of 4-methyl-4-(3-propylazetidin-1-yl)piperidine?
4-methyl-4-(3-propylazetidin-1-yl)piperidine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-propylazetidin-1-yl)piperidine is sourced from PubChem (CID 114697487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).