3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine

C15H30N2 — CID 81045800

IUPAC3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine
SMILESCC(CCN1CCC(C)(C)C1)C1CCCNC1
InChIInChI=1S/C15H30N2/c1-13(14-5-4-8-16-11-14)6-9-17-10-7-15(2,3)12-17/h13-14,16H,4-12H2,1-3H3
InChIKeyBAFHTNGGEHAKMF-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds4

About 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine

3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine (PubChem CID 81045800) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine.

Molecular Properties

Compound Name3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine
PubChem CID81045800
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine
SMILESCC(CCN1CCC(C)(C)C1)C1CCCNC1
InChIInChI=1S/C15H30N2/c1-13(14-5-4-8-16-11-14)6-9-17-10-7-15(2,3)12-17/h13-14,16H,4-12H2,1-3H3
InChIKeyBAFHTNGGEHAKMF-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
CID 81047442
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
1-(3-piperidin-3-ylbutyl)-4-(trifluoromethyl)piperidine
CID 81045481
N,N-dimethyl-1-(3-piperidin-3-ylbutyl)piperidin-3-amine
CID 81045799
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 81048505
1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
CID 81045404
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749743
3-methyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 81043524
1-[2-(azetidin-3-yl)propyl]-3,3-dimethylpiperidine
CID 116680106

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine?
The IUPAC name of 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine (CID 81045800) is 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine.
What is the SMILES notation for 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine?
The canonical SMILES for 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine is CC(CCN1CCC(C)(C)C1)C1CCCNC1.
What is the InChIKey of 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine?
The InChIKey is BAFHTNGGEHAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(14-5-4-8-16-11-14)6-9-17-10-7-15(2,3)12-17/h13-14,16H,4-12H2,1-3H3.
What are the key properties of 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine?
3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine is sourced from PubChem (CID 81045800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).