1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine

C14H27N3 — CID 91413629

IUPAC1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine
SMILESC1CCN(N2CCCC2CN2CCCC2)CC1
InChIInChI=1S/C14H27N3/c1-2-10-16(11-3-1)17-12-6-7-14(17)13-15-8-4-5-9-15/h14H,1-13H2
InChIKeyGTSGAIBAMRXTEN-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.95
Rot. Bonds3

About 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine

1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine (PubChem CID 91413629) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine.

Molecular Properties

Compound Name1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine
PubChem CID91413629
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine
SMILESC1CCN(N2CCCC2CN2CCCC2)CC1
InChIInChI=1S/C14H27N3/c1-2-10-16(11-3-1)17-12-6-7-14(17)13-15-8-4-5-9-15/h14H,1-13H2
InChIKeyGTSGAIBAMRXTEN-UHFFFAOYSA-N
XLogP1.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923
2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-amine
CID 68770074
1-[(1-propylpyrrolidin-2-yl)methyl]piperidine
CID 15626361
2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonitrile
CID 85073188
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101
1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
CID 56824355
3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 83620444
2-(pyrrolidin-1-ylmethyl)piperidine-1-carbaldehyde
CID 88926703
4-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butanoic acid
CID 119135261
2-ethyl-1-(4-ethylpiperidin-1-yl)piperidine
CID 70445422
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine?
The IUPAC name of 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine (CID 91413629) is 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine.
What is the SMILES notation for 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine?
The canonical SMILES for 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine is C1CCN(N2CCCC2CN2CCCC2)CC1.
What is the InChIKey of 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine?
The InChIKey is GTSGAIBAMRXTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-2-10-16(11-3-1)17-12-6-7-14(17)13-15-8-4-5-9-15/h14H,1-13H2.
What are the key properties of 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine?
1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]piperidine is sourced from PubChem (CID 91413629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).