1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine

C17H34N2 — CID 155467667

IUPAC1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine
SMILESCC(C)(CCC(C)(C)N1CCCC1)N1CCCCC1
InChIInChI=1S/C17H34N2/c1-16(2,18-12-6-5-7-13-18)10-11-17(3,4)19-14-8-9-15-19/h5-15H2,1-4H3
InChIKeyWQGNAVQUUAMAJJ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.91
Rot. Bonds5

About 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine

1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine (PubChem CID 155467667) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine.

Molecular Properties

Compound Name1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine
PubChem CID155467667
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine
SMILESCC(C)(CCC(C)(C)N1CCCC1)N1CCCCC1
InChIInChI=1S/C17H34N2/c1-16(2,18-12-6-5-7-13-18)10-11-17(3,4)19-14-8-9-15-19/h5-15H2,1-4H3
InChIKeyWQGNAVQUUAMAJJ-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-4-piperidin-1-ylpentan-2-amine
CID 143013617
3-methyl-3-piperidin-1-ylbutanal
CID 102486553
1-(4-methoxy-2,4-dimethylpentan-2-yl)piperidine
CID 123491134
1,6-ditert-butyl-1,6-diazacycloundecane
CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
3-(azocan-1-yl)-3-methylbutanoic acid
CID 164650523
1-[5-(aziridin-1-yl)-2,5-dimethylhexan-2-yl]azirine
CID 155138986
1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
dihydroxy-(3-methyl-3-piperidin-1-ylbutoxy)-prop-2-enoxysilane
CID 174636397
2-(azepan-1-yl)-2-methylpropane-1,3-diol
CID 104550731
1-(2-methylhexan-2-yl)-1,4-diazepane
CID 155280442
1-(3-methylheptan-3-yl)piperidine
CID 154999026

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine?
The IUPAC name of 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine (CID 155467667) is 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine.
What is the SMILES notation for 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine?
The canonical SMILES for 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine is CC(C)(CCC(C)(C)N1CCCC1)N1CCCCC1.
What is the InChIKey of 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine?
The InChIKey is WQGNAVQUUAMAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-16(2,18-12-6-5-7-13-18)10-11-17(3,4)19-14-8-9-15-19/h5-15H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine?
1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine has a molecular weight of 266.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-5-pyrrolidin-1-ylhexan-2-yl)piperidine is sourced from PubChem (CID 155467667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).