6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane

C16H29N3 — CID 129178580

IUPAC6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCN(C2C3CN([C@@H]4CCN(C)C4)CC32)CC1
InChIInChI=1S/C16H29N3/c1-12-3-7-18(8-4-12)16-14-10-19(11-15(14)16)13-5-6-17(2)9-13/h12-16H,3-11H2,1-2H3/t13-,14?,15?,16?/m1/s1
InChIKeyTZEDXASPRGKDIP-JYLOXXHMSA-N
MW263.43 g/mol
LogP1.35
Rot. Bonds2

About 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane

6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane (PubChem CID 129178580) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane
PubChem CID129178580
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane
SMILESCC1CCN(C2C3CN([C@@H]4CCN(C)C4)CC32)CC1
InChIInChI=1S/C16H29N3/c1-12-3-7-18(8-4-12)16-14-10-19(11-15(14)16)13-5-6-17(2)9-13/h12-16H,3-11H2,1-2H3/t13-,14?,15?,16?/m1/s1
InChIKeyTZEDXASPRGKDIP-JYLOXXHMSA-N
XLogP1.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane (CID 129178580) is 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane is CC1CCN(C2C3CN([C@@H]4CCN(C)C4)CC32)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is TZEDXASPRGKDIP-JYLOXXHMSA-N. The full InChI is InChI=1S/C16H29N3/c1-12-3-7-18(8-4-12)16-14-10-19(11-15(14)16)13-5-6-17(2)9-13/h12-16H,3-11H2,1-2H3/t13-,14?,15?,16?/m1/s1.
What are the key properties of 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane?
6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 263.43 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-3-[(3R)-1-methylpyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 129178580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).