2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine

C16H31N3 — CID 82564799

IUPAC2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine
SMILESCC1CCCCN1CC1CCNCC1N1CCCC1
InChIInChI=1S/C16H31N3/c1-14-6-2-3-11-19(14)13-15-7-8-17-12-16(15)18-9-4-5-10-18/h14-17H,2-13H2,1H3
InChIKeyNVVCEOMEGGQIJQ-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.93
Rot. Bonds3

About 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine

2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine (PubChem CID 82564799) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine
PubChem CID82564799
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine
SMILESCC1CCCCN1CC1CCNCC1N1CCCC1
InChIInChI=1S/C16H31N3/c1-14-6-2-3-11-19(14)13-15-7-8-17-12-16(15)18-9-4-5-10-18/h14-17H,2-13H2,1H3
InChIKeyNVVCEOMEGGQIJQ-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine (CID 82564799) is 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine is CC1CCCCN1CC1CCNCC1N1CCCC1.
What is the InChIKey of 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine?
The InChIKey is NVVCEOMEGGQIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14-6-2-3-11-19(14)13-15-7-8-17-12-16(15)18-9-4-5-10-18/h14-17H,2-13H2,1H3.
What are the key properties of 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine?
2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine has a molecular weight of 265.44 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 82564799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).