1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine

C15H30N2 — CID 91416096

IUPAC1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine
SMILESCCCCN1CCC(N2CC(C)CC(C)C2)C1
InChIInChI=1S/C15H30N2/c1-4-5-7-16-8-6-15(12-16)17-10-13(2)9-14(3)11-17/h13-15H,4-12H2,1-3H3
InChIKeyDNHFBMOCPQUUGZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.84
Rot. Bonds4

About 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine

1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine (PubChem CID 91416096) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine
PubChem CID91416096
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine
SMILESCCCCN1CCC(N2CC(C)CC(C)C2)C1
InChIInChI=1S/C15H30N2/c1-4-5-7-16-8-6-15(12-16)17-10-13(2)9-14(3)11-17/h13-15H,4-12H2,1-3H3
InChIKeyDNHFBMOCPQUUGZ-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
CID 80553977
1-ethyl-4-(3-methylazetidin-1-yl)piperidine
CID 174247988
3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine
CID 2846436
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
1-butyl-3-methylpiperidine;ethane
CID 143349503
3-bromo-1-butylpyrrolidine
CID 80676410
1-butyl-3-methylpiperidine-4-thiol
CID 119028789
3-(2-adamantyl)-1-butylpyrrolidine
CID 3012264
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
2-octyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 115565138
4-chloro-3-methyl-1-pentylpiperidine
CID 114682273
(3S)-1-butyl-3-(difluoromethyl)pyrrolidine
CID 175738561

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine?
The IUPAC name of 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine (CID 91416096) is 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine.
What is the SMILES notation for 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine?
The canonical SMILES for 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine is CCCCN1CCC(N2CC(C)CC(C)C2)C1.
What is the InChIKey of 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine?
The InChIKey is DNHFBMOCPQUUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-5-7-16-8-6-15(12-16)17-10-13(2)9-14(3)11-17/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine?
1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine has a molecular weight of 238.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine is sourced from PubChem (CID 91416096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).