1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine

C14H28N2 — CID 155151188

IUPAC1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
SMILESCC(C)CCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H28N2/c1-13(2)6-10-15-11-7-14(12-15)16-8-4-3-5-9-16/h13-14H,3-12H2,1-2H3
InChIKeyAHFAUQPBRGXEOK-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds4

About 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine

1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine (PubChem CID 155151188) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
PubChem CID155151188
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
SMILESCC(C)CCN1CCC(N2CCCCC2)C1
InChIInChI=1S/C14H28N2/c1-13(2)6-10-15-11-7-14(12-15)16-8-4-3-5-9-16/h13-14H,3-12H2,1-2H3
InChIKeyAHFAUQPBRGXEOK-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-piperidin-1-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169480
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
1-cyclopropyl-N-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]ethanamine
CID 63167458
[1-[1-(3-methylbutyl)pyrrolidin-3-yl]pyrrolidin-3-yl]methanol
CID 117005906
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
4-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-yl]aniline
CID 104501664
1-[1-(3-methylbutyl)piperidin-3-yl]pyrrolidine-3-carboxylic acid
CID 117005840
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methylbutan-2-amine
CID 79932112

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine?
The IUPAC name of 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine (CID 155151188) is 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine?
The canonical SMILES for 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine is CC(C)CCN1CCC(N2CCCCC2)C1.
What is the InChIKey of 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine?
The InChIKey is AHFAUQPBRGXEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-13(2)6-10-15-11-7-14(12-15)16-8-4-3-5-9-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine?
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine has a molecular weight of 224.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 155151188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).