4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine

C18H35N3 — CID 63142981

IUPAC4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine
SMILESCCCC1(CN2CCC(N3CCCCC3)CC2)CCNC1
InChIInChI=1S/C18H35N3/c1-2-8-18(9-10-19-15-18)16-20-13-6-17(7-14-20)21-11-4-3-5-12-21/h17,19H,2-16H2,1H3
InChIKeyTXXGFHMAXFMSTR-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.72
Rot. Bonds5

About 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine

4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine (PubChem CID 63142981) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine
PubChem CID63142981
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine
SMILESCCCC1(CN2CCC(N3CCCCC3)CC2)CCNC1
InChIInChI=1S/C18H35N3/c1-2-8-18(9-10-19-15-18)16-20-13-6-17(7-14-20)21-11-4-3-5-12-21/h17,19H,2-16H2,1H3
InChIKeyTXXGFHMAXFMSTR-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine?
The IUPAC name of 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine (CID 63142981) is 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine?
The canonical SMILES for 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine is CCCC1(CN2CCC(N3CCCCC3)CC2)CCNC1.
What is the InChIKey of 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine?
The InChIKey is TXXGFHMAXFMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-8-18(9-10-19-15-18)16-20-13-6-17(7-14-20)21-11-4-3-5-12-21/h17,19H,2-16H2,1H3.
What are the key properties of 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine?
4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine has a molecular weight of 293.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine is sourced from PubChem (CID 63142981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).