3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

C18H35N3 — CID 120899331

IUPAC3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1CCN(CC2CCCN(CC3(C)CCNC3)C2)CC1
InChIInChI=1S/C18H35N3/c1-16-5-10-20(11-6-16)12-17-4-3-9-21(13-17)15-18(2)7-8-19-14-18/h16-17,19H,3-15H2,1-2H3
InChIKeyBHUQYOITTFODAZ-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.43
Rot. Bonds4

About 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine

3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 120899331) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
PubChem CID120899331
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
SMILESCC1CCN(CC2CCCN(CC3(C)CCNC3)C2)CC1
InChIInChI=1S/C18H35N3/c1-16-5-10-20(11-6-16)12-17-4-3-9-21(13-17)15-18(2)7-8-19-14-18/h16-17,19H,3-15H2,1-2H3
InChIKeyBHUQYOITTFODAZ-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3R)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]morpholine;hydrochloride
CID 120905741
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900572
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(triazol-1-ylmethyl)piperidine;hydrochloride
CID 120901831
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
N-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 120897218
3-ethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63122767
2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 120899327
1-[(3-methylpyrrolidin-3-yl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine;hydrochloride
CID 120899306
1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120897194
N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 120901182

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine (CID 120899331) is 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is CC1CCN(CC2CCCN(CC3(C)CCNC3)C2)CC1.
What is the InChIKey of 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is BHUQYOITTFODAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-16-5-10-20(11-6-16)12-17-4-3-9-21(13-17)15-18(2)7-8-19-14-18/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine?
3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 293.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 120899331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).