[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine

C17H34N4 — CID 81469831

IUPAC[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCC(N3CCCCC3)CC2)CN1C
InChIInChI=1S/C17H34N4/c1-15-12-17(13-18,14-19(15)2)21-10-6-16(7-11-21)20-8-4-3-5-9-20/h15-16H,3-14,18H2,1-2H3
InChIKeyYXYKKUXSPDSGRA-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.36
Rot. Bonds3

About [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine

[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 81469831) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID81469831
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)(N2CCC(N3CCCCC3)CC2)CN1C
InChIInChI=1S/C17H34N4/c1-15-12-17(13-18,14-19(15)2)21-10-6-16(7-11-21)20-8-4-3-5-9-20/h15-16H,3-14,18H2,1-2H3
InChIKeyYXYKKUXSPDSGRA-UHFFFAOYSA-N
XLogP1.36
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine (CID 81469831) is [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine is CC1CC(CN)(N2CCC(N3CCCCC3)CC2)CN1C.
What is the InChIKey of [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is YXYKKUXSPDSGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-15-12-17(13-18,14-19(15)2)21-10-6-16(7-11-21)20-8-4-3-5-9-20/h15-16H,3-14,18H2,1-2H3.
What are the key properties of [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine?
[1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 294.49 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,5-dimethyl-3-(4-piperidin-1-ylpiperidin-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 81469831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).